2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid

C92H87BrN20O12 — CID 157466969

IUPAC2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCCCCc1ccn(-c2cc(C(=O)O)ccn2)n1.CCCCc1ccnn1-c1cc(C(=O)O)ccn1.CN(C)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1.Cc1c(-c2ccccc2)cnn1-c1cc(C(=O)O)ccn1.Cc1ccc(-c2c(C)c(N)nn2-c2cc(C(=O)O)ccn2)cc1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(Br)cc1
InChIInChI=1S/2C17H16N4O2.C16H12BrN3O2.C16H13N3O2.2C13H15N3O2/c1-20(2)14-5-3-12(4-6-14)15-8-10-19-21(15)16-11-13(17(22)23)7-9-18-16;1-10-3-5-12(6-4-10)15-11(2)16(18)20-21(15)14-9-13(17(22)23)7-8-19-14;1-10-9-19-20(14-8-12(16(21)22)6-7-18-14)15(10)11-2-4-13(17)5-3-11;1-11-14(12-5-3-2-4-6-12)10-18-19(11)15-9-13(16(20)21)7-8-17-15;1-2-3-4-11-6-8-16(15-11)12-9-10(13(17)18)5-7-14-12;1-2-3-4-11-6-8-15-16(11)12-9-10(13(17)18)5-7-14-12/h3-11H,1-2H3,(H,22,23);3-9H,1-2H3,(H2,18,20)(H,22,23);2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);2*5-9H,2-4H2,1H3,(H,17,18)
InChIKeyBUPBZZFERJHKQS-UHFFFAOYSA-N
MW1744.74 g/mol
LogP16.79
Rot. Bonds23

About 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid

2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 157466969) has the molecular formula C92H87BrN20O12 and a molecular weight of 1744.74 g/mol. Its IUPAC name is 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID157466969
Molecular FormulaC92H87BrN20O12
Molecular Weight1744.74 g/mol
Exact Mass1742.60
IUPAC Name2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCCCCc1ccn(-c2cc(C(=O)O)ccn2)n1.CCCCc1ccnn1-c1cc(C(=O)O)ccn1.CN(C)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1.Cc1c(-c2ccccc2)cnn1-c1cc(C(=O)O)ccn1.Cc1ccc(-c2c(C)c(N)nn2-c2cc(C(=O)O)ccn2)cc1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(Br)cc1
InChIInChI=1S/2C17H16N4O2.C16H12BrN3O2.C16H13N3O2.2C13H15N3O2/c1-20(2)14-5-3-12(4-6-14)15-8-10-19-21(15)16-11-13(17(22)23)7-9-18-16;1-10-3-5-12(6-4-10)15-11(2)16(18)20-21(15)14-9-13(17(22)23)7-8-19-14;1-10-9-19-20(14-8-12(16(21)22)6-7-18-14)15(10)11-2-4-13(17)5-3-11;1-11-14(12-5-3-2-4-6-12)10-18-19(11)15-9-13(16(20)21)7-8-17-15;1-2-3-4-11-6-8-16(15-11)12-9-10(13(17)18)5-7-14-12;1-2-3-4-11-6-8-15-16(11)12-9-10(13(17)18)5-7-14-12/h3-11H,1-2H3,(H,22,23);3-9H,1-2H3,(H2,18,20)(H,22,23);2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);2*5-9H,2-4H2,1H3,(H,17,18)
InChIKeyBUPBZZFERJHKQS-UHFFFAOYSA-N
XLogP16.79
TPSA437.32 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.74
LogP ≤ 516.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid with MolForge

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Related Compounds

4-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid
CID 159056290
4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-2-methylpropanenitrile;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-2-methylpropanenitrile
CID 160191774
2-(3-Benzylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-benzylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(4,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[3-ethyl-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[3-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(2-phenylethyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 160551221
4-[7-Amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid
CID 160896973
(Z)-3-aminobut-2-enenitrile;methyl 3-bromopyridine-4-carboxylate;bis(methyl 3-[(5-methyl-1-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylate);methyl 3-[(5-methyl-2-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylate;5-methyl-1-phenylpyrazol-3-amine;5-methyl-2-phenylpyrazol-3-amine;3-[(5-methyl-2-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid;phenylmethanamine
CID 161030106

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 157466969) is 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid is CCCCc1ccn(-c2cc(C(=O)O)ccn2)n1.CCCCc1ccnn1-c1cc(C(=O)O)ccn1.CN(C)c1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1.Cc1c(-c2ccccc2)cnn1-c1cc(C(=O)O)ccn1.Cc1ccc(-c2c(C)c(N)nn2-c2cc(C(=O)O)ccn2)cc1.Cc1cnn(-c2cc(C(=O)O)ccn2)c1-c1ccc(Br)cc1.
What is the InChIKey of 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is BUPBZZFERJHKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16N4O2.C16H12BrN3O2.C16H13N3O2.2C13H15N3O2/c1-20(2)14-5-3-12(4-6-14)15-8-10-19-21(15)16-11-13(17(22)23)7-9-18-16;1-10-3-5-12(6-4-10)15-11(2)16(18)20-21(15)14-9-13(17(22)23)7-8-19-14;1-10-9-19-20(14-8-12(16(21)22)6-7-18-14)15(10)11-2-4-13(17)5-3-11;1-11-14(12-5-3-2-4-6-12)10-18-19(11)15-9-13(16(20)21)7-8-17-15;1-2-3-4-11-6-8-16(15-11)12-9-10(13(17)18)5-7-14-12;1-2-3-4-11-6-8-15-16(11)12-9-10(13(17)18)5-7-14-12/h3-11H,1-2H3,(H,22,23);3-9H,1-2H3,(H2,18,20)(H,22,23);2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);2*5-9H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid?
2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 1744.74 g/mol, XLogP of 16.79, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-methyl-5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-(4-bromophenyl)-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid;2-(3-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-(5-butylpyrazol-1-yl)pyridine-4-carboxylic acid;2-[5-[4-(dimethylamino)phenyl]pyrazol-1-yl]pyridine-4-carboxylic acid;2-(5-methyl-4-phenylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 157466969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).