N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C22H24N4O2S — CID 3153689

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(N(C(=O)c2ccn[nH]2)C(C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C22H24N4O2S/c1-15-8-10-17(11-9-15)26(22(28)18-12-13-23-25-18)20(19-7-4-14-29-19)21(27)24-16-5-2-3-6-16/h4,7-14,16,20H,2-3,5-6H2,1H3,(H,23,25)(H,24,27)
InChIKeyKCJPVRQGAWDAIM-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.23
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 3153689) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID3153689
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(N(C(=O)c2ccn[nH]2)C(C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C22H24N4O2S/c1-15-8-10-17(11-9-15)26(22(28)18-12-13-23-25-18)20(19-7-4-14-29-19)21(27)24-16-5-2-3-6-16/h4,7-14,16,20H,2-3,5-6H2,1H3,(H,23,25)(H,24,27)
InChIKeyKCJPVRQGAWDAIM-UHFFFAOYSA-N
XLogP4.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 3153689) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(N(C(=O)c2ccn[nH]2)C(C(=O)NC2CCCC2)c2cccs2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KCJPVRQGAWDAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-8-10-17(11-9-15)26(22(28)18-12-13-23-25-18)20(19-7-4-14-29-19)21(27)24-16-5-2-3-6-16/h4,7-14,16,20H,2-3,5-6H2,1H3,(H,23,25)(H,24,27).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3153689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).