N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

C17H16N4O2S — CID 108804234

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)c2C)nc1C
InChIInChI=1S/C17H16N4O2S/c1-10-15(12(3)22)24-17(19-10)20-16(23)14-9-18-21(11(14)2)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,19,20,23)
InChIKeyLRJGBJODOVPYSK-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.40
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108804234) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID108804234
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)c2C)nc1C
InChIInChI=1S/C17H16N4O2S/c1-10-15(12(3)22)24-17(19-10)20-16(23)14-9-18-21(11(14)2)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,19,20,23)
InChIKeyLRJGBJODOVPYSK-UHFFFAOYSA-N
XLogP3.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43980540
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90603522
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 108791910
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 122356232
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(benzenesulfonamido)benzamide
CID 7541869
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804228
prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 108793434

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 108804234) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is CC(=O)c1sc(NC(=O)c2cnn(-c3ccccc3)c2C)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is LRJGBJODOVPYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-15(12(3)22)24-17(19-10)20-16(23)14-9-18-21(11(14)2)13-7-5-4-6-8-13/h4-9H,1-3H3,(H,19,20,23).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108804234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).