N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

C24H28N4O4S — CID 25317957

IUPACN-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccn[nH]2)cc1OC
InChIInChI=1S/C24H28N4O4S/c1-31-20-10-9-16(14-21(20)32-2)22(23(29)26-17-6-3-4-7-17)28(15-18-8-5-13-33-18)24(30)19-11-12-25-27-19/h5,8-14,17,22H,3-4,6-7,15H2,1-2H3,(H,25,27)(H,26,29)/t22-/m1/s1
InChIKeyFYRGKDCCZKFLCR-JOCHJYFZSA-N
MW468.58 g/mol
LogP3.93
Rot. Bonds9

About N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 25317957) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID25317957
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccn[nH]2)cc1OC
InChIInChI=1S/C24H28N4O4S/c1-31-20-10-9-16(14-21(20)32-2)22(23(29)26-17-6-3-4-7-17)28(15-18-8-5-13-33-18)24(30)19-11-12-25-27-19/h5,8-14,17,22H,3-4,6-7,15H2,1-2H3,(H,25,27)(H,26,29)/t22-/m1/s1
InChIKeyFYRGKDCCZKFLCR-JOCHJYFZSA-N
XLogP3.93
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 1083834
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 3153675
N-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 25447501
2-[(2-chloroacetyl)-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 86809936
N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 3190776
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
CID 1155871
(2R)-2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
CID 1167803
(2R)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(4-fluorophenyl)acetamide
CID 98088240
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-(4-fluorophenyl)acetamide
CID 98088238
N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 1083822
2-[(2-chloroacetyl)-(thiophen-2-ylmethyl)amino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 86809995
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196697

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 25317957) is N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccn[nH]2)cc1OC.
What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FYRGKDCCZKFLCR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-31-20-10-9-16(14-21(20)32-2)22(23(29)26-17-6-3-4-7-17)28(15-18-8-5-13-33-18)24(30)19-11-12-25-27-19/h5,8-14,17,22H,3-4,6-7,15H2,1-2H3,(H,25,27)(H,26,29)/t22-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 25317957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).