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

C20H23FN4O2 — CID 3900369

IUPACN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1ccn[nH]1)C1CC1
InChIInChI=1S/C20H23FN4O2/c21-14-7-5-13(6-8-14)18(19(26)23-15-3-1-2-4-15)25(16-9-10-16)20(27)17-11-12-22-24-17/h5-8,11-12,15-16,18H,1-4,9-10H2,(H,22,24)(H,23,26)
InChIKeyITWNRFOVEHLDPF-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.95
Rot. Bonds6

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

N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide (PubChem CID 3900369) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide
PubChem CID3900369
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1ccn[nH]1)C1CC1
InChIInChI=1S/C20H23FN4O2/c21-14-7-5-13(6-8-14)18(19(26)23-15-3-1-2-4-15)25(16-9-10-16)20(27)17-11-12-22-24-17/h5-8,11-12,15-16,18H,1-4,9-10H2,(H,22,24)(H,23,26)
InChIKeyITWNRFOVEHLDPF-UHFFFAOYSA-N
XLogP2.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 1083822
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide
CID 25458631
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
2-[(2-chloroacetyl)-cyclopentylamino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 3506765
2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688301
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-1,2-thiazole-3-carboxamide
CID 3197070
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopropyl-2,2,2-trifluoroacetamide
CID 1458302
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 3231439
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
N-[(1R)-2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 25317957
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide (CID 3900369) is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide is O=C(NC1CCCC1)C(c1ccc(F)cc1)N(C(=O)c1ccn[nH]1)C1CC1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide?
The InChIKey is ITWNRFOVEHLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-14-7-5-13(6-8-14)18(19(26)23-15-3-1-2-4-15)25(16-9-10-16)20(27)17-11-12-22-24-17/h5-8,11-12,15-16,18H,1-4,9-10H2,(H,22,24)(H,23,26).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide?
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3900369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).