N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide

C22H23FN4O3 — CID 9227105

IUPACN-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)CC(=O)N(C)C)c1
InChIInChI=1S/C22H23FN4O3/c1-25(2)20(28)14-26(3)22(29)19-13-27(17-10-8-16(23)9-11-17)24-21(19)15-6-5-7-18(12-15)30-4/h5-13H,14H2,1-4H3
InChIKeyJHJSPXOALWOOIV-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide (PubChem CID 9227105) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide
PubChem CID9227105
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)CC(=O)N(C)C)c1
InChIInChI=1S/C22H23FN4O3/c1-25(2)20(28)14-26(3)22(29)19-13-27(17-10-8-16(23)9-11-17)24-21(19)15-6-5-7-18(12-15)30-4/h5-13H,14H2,1-4H3
InChIKeyJHJSPXOALWOOIV-UHFFFAOYSA-N
XLogP2.85
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 9301358
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 16519237
N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154275
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 25494249
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 16519229
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17411184
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide (CID 9227105) is N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N(C)CC(=O)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is JHJSPXOALWOOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-25(2)20(28)14-26(3)22(29)19-13-27(17-10-8-16(23)9-11-17)24-21(19)15-6-5-7-18(12-15)30-4/h5-13H,14H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 9227105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).