1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide

C19H22N4OS — CID 56648967

IUPAC1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1
InChIInChI=1S/C19H22N4OS/c1-13-12-25-18(20-13)21-17(24)15-10-16(19(2,3)4)22-23(15)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,20,21,24)
InChIKeyFXRSYGYOILGAPV-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.25
Rot. Bonds4

About 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide

1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 56648967) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID56648967
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1
InChIInChI=1S/C19H22N4OS/c1-13-12-25-18(20-13)21-17(24)15-10-16(19(2,3)4)22-23(15)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,20,21,24)
InChIKeyFXRSYGYOILGAPV-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1223459
N-(1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2118565
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2439795
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
N,1-dibenzyl-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]pyrazole-3-carboxamide
CID 46221409
N-[4-(aminomethyl)thiazol-2-yl]-2-benzyl-5-tert-butyl-pyrazole-3-carboxamide
CID 56643478
1-benzyl-3-tert-butyl-N-[4-(methylaminomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649051
1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649052
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 71580328
N-[4-cyclobutyl-5-(4-methylpiperazin-1-yl)-1,3-thiazol-2-yl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 155530174

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 56648967) is 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is Cc1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is FXRSYGYOILGAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13-12-25-18(20-13)21-17(24)15-10-16(19(2,3)4)22-23(15)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H,20,21,24).
What are the key properties of 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 56648967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).