2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C103H106Cl2F3N19O16 — CID 157351779

IUPAC2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCN(C)CCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.CN(C)CCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1.COc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-n2ncc(CCN3CCCC3)c2OCc2ccc(Cl)cc2)c1.O=C(O)c1ccnc(-n2ncc(CCN3CCCC3)c2OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H23ClN4O3.C22H23FN4O3.C21H23ClN4O3.C21H23FN4O3.C17H14FN3O4/c2*23-19-5-3-16(4-6-19)15-30-21-18(8-12-26-10-1-2-11-26)14-25-27(21)20-13-17(22(28)29)7-9-24-20;2*1-25(2)11-3-4-17-13-24-26(19-12-16(21(27)28)9-10-23-19)20(17)29-14-15-5-7-18(22)8-6-15;1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2*3-7,9,13-14H,1-2,8,10-12,15H2,(H,28,29);2*5-10,12-13H,3-4,11,14H2,1-2H3,(H,27,28);2-9H,10H2,1H3,(H,22,23)
InChIKeyBHPTUCHLWLVDMF-UHFFFAOYSA-N
MW1994.00 g/mol
LogP16.72
Rot. Bonds40

About 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 157351779) has the molecular formula C103H106Cl2F3N19O16 and a molecular weight of 1994.00 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID157351779
Molecular FormulaC103H106Cl2F3N19O16
Molecular Weight1994.00 g/mol
Exact Mass1991.74
IUPAC Name2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESCN(C)CCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.CN(C)CCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1.COc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-n2ncc(CCN3CCCC3)c2OCc2ccc(Cl)cc2)c1.O=C(O)c1ccnc(-n2ncc(CCN3CCCC3)c2OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H23ClN4O3.C22H23FN4O3.C21H23ClN4O3.C21H23FN4O3.C17H14FN3O4/c2*23-19-5-3-16(4-6-19)15-30-21-18(8-12-26-10-1-2-11-26)14-25-27(21)20-13-17(22(28)29)7-9-24-20;2*1-25(2)11-3-4-17-13-24-26(19-12-16(21(27)28)9-10-23-19)20(17)29-14-15-5-7-18(22)8-6-15;1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2*3-7,9,13-14H,1-2,8,10-12,15H2,(H,28,29);2*5-10,12-13H,3-4,11,14H2,1-2H3,(H,27,28);2-9H,10H2,1H3,(H,22,23)
InChIKeyBHPTUCHLWLVDMF-UHFFFAOYSA-N
XLogP16.72
TPSA408.39 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001994.00
LogP ≤ 516.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[5-[(3-chloro-4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205241
2-[5-[(4-fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
2-[5-[(3,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205226
2-[5-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205315
2-[5-[[4-chloro-2-(cyclopropylmethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-phenylmethoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chloro-2-propoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(3-chloro-4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(4-ethyl-3-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;methyl 2-[5-[(2-fluoro-3,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 157078402
methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725569
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
2-[5-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 155486282
2-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]pyridine-4-carboxylic acid
CID 58854194
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
methyl 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 58247772
2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 130252192

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 157351779) is 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid is CN(C)CCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(Cl)cc1.CN(C)CCCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1.COc1cc(F)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1.O=C(O)c1ccnc(-n2ncc(CCN3CCCC3)c2OCc2ccc(Cl)cc2)c1.O=C(O)c1ccnc(-n2ncc(CCN3CCCC3)c2OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is BHPTUCHLWLVDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3.C22H23FN4O3.C21H23ClN4O3.C21H23FN4O3.C17H14FN3O4/c2*23-19-5-3-16(4-6-19)15-30-21-18(8-12-26-10-1-2-11-26)14-25-27(21)20-13-17(22(28)29)7-9-24-20;2*1-25(2)11-3-4-17-13-24-26(19-12-16(21(27)28)9-10-23-19)20(17)29-14-15-5-7-18(22)8-6-15;1-24-14-9-13(18)3-2-12(14)10-25-16-5-7-20-21(16)15-8-11(17(22)23)4-6-19-15/h2*3-7,9,13-14H,1-2,8,10-12,15H2,(H,28,29);2*5-10,12-13H,3-4,11,14H2,1-2H3,(H,27,28);2-9H,10H2,1H3,(H,22,23).
What are the key properties of 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 1994.00 g/mol, XLogP of 16.72, 40 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methoxy]-4-[3-(dimethylamino)propyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-chlorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-2-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluorophenyl)methoxy]-4-(2-pyrrolidin-1-ylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157351779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).