1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C21H18N4O2S — CID 17426569

IUPAC1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H18N4O2S/c1-27-17-9-7-16(8-10-17)19-18(20(26)23-21-22-11-12-28-21)14-25(24-19)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,22,23,26)
InChIKeyYZQDCQQWOHGRKZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.32
Rot. Bonds6

About 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 17426569) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID17426569
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C21H18N4O2S/c1-27-17-9-7-16(8-10-17)19-18(20(26)23-21-22-11-12-28-21)14-25(24-19)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,22,23,26)
InChIKeyYZQDCQQWOHGRKZ-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32995513
1-(2-cyanoethyl)-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 6483997
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 55484396
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 124882051
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 30845618

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 17426569) is 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is YZQDCQQWOHGRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-27-17-9-7-16(8-10-17)19-18(20(26)23-21-22-11-12-28-21)14-25(24-19)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,22,23,26).
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 17426569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).