N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide

C26H29FN4O3 — CID 67379566

IUPACN-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide
SMILESCOc1cc(C(=O)N[C@@H](CC(=O)NC2CCCC2)c2ccccc2C)nn1-c1ccccc1F
InChIInChI=1S/C26H29FN4O3/c1-17-9-3-6-12-19(17)21(15-24(32)28-18-10-4-5-11-18)29-26(33)22-16-25(34-2)31(30-22)23-14-8-7-13-20(23)27/h3,6-9,12-14,16,18,21H,4-5,10-11,15H2,1-2H3,(H,28,32)(H,29,33)/t21-/m0/s1
InChIKeyNUOKFVQQBUPKLH-NRFANRHFSA-N
MW464.54 g/mol
LogP4.25
Rot. Bonds8

About N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide

N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide (PubChem CID 67379566) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide
PubChem CID67379566
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC NameN-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide
SMILESCOc1cc(C(=O)N[C@@H](CC(=O)NC2CCCC2)c2ccccc2C)nn1-c1ccccc1F
InChIInChI=1S/C26H29FN4O3/c1-17-9-3-6-12-19(17)21(15-24(32)28-18-10-4-5-11-18)29-26(33)22-16-25(34-2)31(30-22)23-14-8-7-13-20(23)27/h3,6-9,12-14,16,18,21H,4-5,10-11,15H2,1-2H3,(H,28,32)(H,29,33)/t21-/m0/s1
InChIKeyNUOKFVQQBUPKLH-NRFANRHFSA-N
XLogP4.25
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-3-[cyano(methyl)amino]-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide
CID 123717534
(3S)-3-[[1-(2-fluorophenyl)-5-(pyridin-2-ylmethoxy)pyrazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 90094194
(3S)-3-[[1-(2-fluorophenyl)-5-(2-hydroxy-2-methylbutoxy)pyrazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 90093922
ethyl 4-[[1-(2-fluorophenyl)-5-methoxypyrazole-3-carbonyl]amino]-3-(2-methylphenyl)butanoate
CID 163472725
(3S)-3-(2,3-dichlorophenyl)-3-[[5-ethoxy-1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
CID 90093749
(3S)-3-(2-fluorophenyl)-3-[[1-(2-fluorophenyl)-5-[(2R)-2-hydroxy-2,3,3-trimethylbutoxy]pyrazole-3-carbonyl]amino]propanoic acid
CID 67362931
(3S)-3-[[5-(cyclopropylmethoxy)-1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-3-(2,3-dichlorophenyl)propanoic acid
CID 90094139
(3S)-3-(2-fluorophenyl)-3-[[1-(2-fluorophenyl)-5-[(2S)-2-hydroxy-2,3-dimethylbutoxy]pyrazole-3-carbonyl]amino]propanoic acid
CID 71257428
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252
(3S)-3-(2-ethyl-4-methoxyphenyl)-3-[[1-(2-fluorophenyl)-5-[(2S)-2-hydroxy-3,3-dimethylbutoxy]pyrazole-3-carbonyl]amino]propanoic acid
CID 90096121
3-[[1-(2-chlorophenyl)-5-ethoxypyrazole-3-carbonyl]amino]-3-(2,3-dimethylphenyl)propanoic acid
CID 90094246
(3S)-3-(2-chlorophenyl)-3-[[1-(2-fluorophenyl)-5-[(2S)-2-hydroxy-3,3-dimethylbutoxy]pyrazole-3-carbonyl]amino]propanoic acid
CID 71257915

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide (CID 67379566) is N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide is COc1cc(C(=O)N[C@@H](CC(=O)NC2CCCC2)c2ccccc2C)nn1-c1ccccc1F.
What is the InChIKey of N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide?
The InChIKey is NUOKFVQQBUPKLH-NRFANRHFSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-17-9-3-6-12-19(17)21(15-24(32)28-18-10-4-5-11-18)29-26(33)22-16-25(34-2)31(30-22)23-14-8-7-13-20(23)27/h3,6-9,12-14,16,18,21H,4-5,10-11,15H2,1-2H3,(H,28,32)(H,29,33)/t21-/m0/s1.
What are the key properties of N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide?
N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(cyclopentylamino)-1-(2-methylphenyl)-3-oxopropyl]-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 67379566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).