N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide

C13H14N4O2S — CID 4768943

IUPACN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)n1
InChIInChI=1S/C13H14N4O2S/c1-17-6-5-8(16-17)12(19)15-13-10(11(14)18)7-3-2-4-9(7)20-13/h5-6H,2-4H2,1H3,(H2,14,18)(H,15,19)
InChIKeyLGXCMZITEPMZRV-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.32
Rot. Bonds3

About N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 4768943) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID4768943
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)n1
InChIInChI=1S/C13H14N4O2S/c1-17-6-5-8(16-17)12(19)15-13-10(11(14)18)7-3-2-4-9(7)20-13/h5-6H,2-4H2,1H3,(H2,14,18)(H,15,19)
InChIKeyLGXCMZITEPMZRV-UHFFFAOYSA-N
XLogP1.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpyrazole-3-carboxamide
CID 1222099
methyl 2-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4668907
2-[({3-Tert-Butyl-4-[(Methylamino)methyl]-1h-Pyrazol-1-Yl}acetyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
CID 46870038
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 947490
N-[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]-4-bromo-1-methyl-1H-pyrazole-3-carboxamide
CID 1028457
4-bromo-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylpyrazole-3-carboxamide
CID 1314887
N-[3-(aminocarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]-4-bromo-1-ethyl-1H-pyrazole-5-carboxamide
CID 2056596
2-[2-(3-Tert-butyl-4-dimethylaminomethylpyrazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxamide
CID 24967422
2-(2-(3-tert-butyl-4-((ethylamino)methyl)-1H-pyrazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 52943768
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid (3-carbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide
CID 1137537
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide
CID 1222859
methyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 841818

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide (CID 4768943) is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)n1.
What is the InChIKey of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is LGXCMZITEPMZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-17-6-5-8(16-17)12(19)15-13-10(11(14)18)7-3-2-4-9(7)20-13/h5-6H,2-4H2,1H3,(H2,14,18)(H,15,19).
What are the key properties of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide?
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4768943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).