N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

C27H32N4O4 — CID 3153669

IUPACN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccn[nH]2)cc1OC
InChIInChI=1S/C27H32N4O4/c1-18-8-10-19(11-9-18)17-31(27(33)22-14-15-28-30-22)25(26(32)29-21-6-4-5-7-21)20-12-13-23(34-2)24(16-20)35-3/h8-16,21,25H,4-7,17H2,1-3H3,(H,28,30)(H,29,32)
InChIKeyXXOBWVLREIPAAM-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.18
Rot. Bonds9

About N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide

N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 3153669) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID3153669
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccn[nH]2)cc1OC
InChIInChI=1S/C27H32N4O4/c1-18-8-10-19(11-9-18)17-31(27(33)22-14-15-28-30-22)25(26(32)29-21-6-4-5-7-21)20-12-13-23(34-2)24(16-20)35-3/h8-16,21,25H,4-7,17H2,1-3H3,(H,28,30)(H,29,32)
InChIKeyXXOBWVLREIPAAM-UHFFFAOYSA-N
XLogP4.18
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 3153669) is N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccn[nH]2)cc1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XXOBWVLREIPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-18-8-10-19(11-9-18)17-31(27(33)22-14-15-28-30-22)25(26(32)29-21-6-4-5-7-21)20-12-13-23(34-2)24(16-20)35-3/h8-16,21,25H,4-7,17H2,1-3H3,(H,28,30)(H,29,32).
What are the key properties of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide?
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 3153669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).