5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide

C16H24N4O2S — CID 51999688

IUPAC5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCSCC2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C16H24N4O2S/c1-20-14(18-15(21)11-4-2-3-5-11)10-13(19-20)16(22)17-12-6-8-23-9-7-12/h10-12H,2-9H2,1H3,(H,17,22)(H,18,21)
InChIKeyABLVGVCUQSARFH-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.17
Rot. Bonds4

About 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide

5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide (PubChem CID 51999688) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide
PubChem CID51999688
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCSCC2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C16H24N4O2S/c1-20-14(18-15(21)11-4-2-3-5-11)10-13(19-20)16(22)17-12-6-8-23-9-7-12/h10-12H,2-9H2,1H3,(H,17,22)(H,18,21)
InChIKeyABLVGVCUQSARFH-UHFFFAOYSA-N
XLogP2.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 51999857
5-(cyclopentanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767261
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
5-(cyclohexanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767268
5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
CID 51999721
5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 51999836
5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 51999642
N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999876
5-(cyclopentanecarbonylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 51999682

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide (CID 51999688) is 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCSCC2)cc1NC(=O)C1CCCC1.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide?
The InChIKey is ABLVGVCUQSARFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-20-14(18-15(21)11-4-2-3-5-11)10-13(19-20)16(22)17-12-6-8-23-9-7-12/h10-12H,2-9H2,1H3,(H,17,22)(H,18,21).
What are the key properties of 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide?
5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 51999688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).