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

C24H25FN4O3 — CID 3153606

IUPACN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccn[nH]2)C(C(=O)NC2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN4O3/c1-32-20-12-10-19(11-13-20)29(24(31)21-14-15-26-28-21)22(16-6-8-17(25)9-7-16)23(30)27-18-4-2-3-5-18/h6-15,18,22H,2-5H2,1H3,(H,26,28)(H,27,30)
InChIKeyPEUSAURGMFSAGZ-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.00
Rot. Bonds7

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

N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 3153606) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID3153606
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC NameN-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccn[nH]2)C(C(=O)NC2CCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN4O3/c1-32-20-12-10-19(11-13-20)29(24(31)21-14-15-26-28-21)22(16-6-8-17(25)9-7-16)23(30)27-18-4-2-3-5-18/h6-15,18,22H,2-5H2,1H3,(H,26,28)(H,27,30)
InChIKeyPEUSAURGMFSAGZ-UHFFFAOYSA-N
XLogP4.00
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 3153606) is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(N(C(=O)c2ccn[nH]2)C(C(=O)NC2CCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PEUSAURGMFSAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-32-20-12-10-19(11-13-20)29(24(31)21-14-15-26-28-21)22(16-6-8-17(25)9-7-16)23(30)27-18-4-2-3-5-18/h6-15,18,22H,2-5H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3153606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).