N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide

C24H24F2N4O2 — CID 1083822

IUPACN-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccn[nH]1
InChIInChI=1S/C24H24F2N4O2/c25-18-9-5-16(6-10-18)15-30(24(32)21-13-14-27-29-21)22(17-7-11-19(26)12-8-17)23(31)28-20-3-1-2-4-20/h5-14,20,22H,1-4,15H2,(H,27,29)(H,28,31)/t22-/m0/s1
InChIKeyDCJCSWSWGMNFNW-QFIPXVFZSA-N
MW438.48 g/mol
LogP4.13
Rot. Bonds7

About N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide

N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 1083822) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID1083822
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccn[nH]1
InChIInChI=1S/C24H24F2N4O2/c25-18-9-5-16(6-10-18)15-30(24(32)21-13-14-27-29-21)22(17-7-11-19(26)12-8-17)23(31)28-20-3-1-2-4-20/h5-14,20,22H,1-4,15H2,(H,27,29)(H,28,31)/t22-/m0/s1
InChIKeyDCJCSWSWGMNFNW-QFIPXVFZSA-N
XLogP4.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 3900369
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 1441797
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[(4-fluorophenyl)methyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180458
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3196483
N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 25317957
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688312
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3191118
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 1437713
N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 24594082
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 25311731

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide (CID 1083822) is N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide is O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DCJCSWSWGMNFNW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c25-18-9-5-16(6-10-18)15-30(24(32)21-13-14-27-29-21)22(17-7-11-19(26)12-8-17)23(31)28-20-3-1-2-4-20/h5-14,20,22H,1-4,15H2,(H,27,29)(H,28,31)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide?
N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1083822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).