N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C19H19N3OS — CID 51111232

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C19H19N3OS/c1-12-18(13(2)22(21-12)15-8-4-3-5-9-15)20-19(23)17-11-14-7-6-10-16(14)24-17/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,23)
InChIKeyFBCDJHBRSRNZCA-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.29
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 51111232) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID51111232
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C19H19N3OS/c1-12-18(13(2)22(21-12)15-8-4-3-5-9-15)20-19(23)17-11-14-7-6-10-16(14)24-17/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,23)
InChIKeyFBCDJHBRSRNZCA-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 16575237
6-methyl-4-oxo-1-phenyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)pyridazine-3-carbohydrazide
CID 31846426
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16575164
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 9152421
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 24659557
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 78767051
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 56809268
2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-5-hydroxybenzoic acid
CID 61406156
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
N-(4-bromo-2,6-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60794958

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 51111232) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is FBCDJHBRSRNZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-18(13(2)22(21-12)15-8-4-3-5-9-15)20-19(23)17-11-14-7-6-10-16(14)24-17/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 51111232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).