5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide

C24H28N4O2 — CID 56509594

IUPAC5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)CCN3CCCC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H28N4O2/c1-26(16-17-27-14-6-7-15-27)24(29)22-18-23(19-10-12-21(30-2)13-11-19)28(25-22)20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-17H2,1-2H3
InChIKeyPIWIWOVPQWYQFT-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.72
Rot. Bonds7

About 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide

5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 56509594) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID56509594
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)CCN3CCCC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H28N4O2/c1-26(16-17-27-14-6-7-15-27)24(29)22-18-23(19-10-12-21(30-2)13-11-19)28(25-22)20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-17H2,1-2H3
InChIKeyPIWIWOVPQWYQFT-UHFFFAOYSA-N
XLogP3.72
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
1-azaspiro[3.3]heptan-1-yl-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166221939
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 56559254
(3,3-dimethylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 48521996
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
[5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 21090864

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide (CID 56509594) is 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(C)CCN3CCCC3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is PIWIWOVPQWYQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-26(16-17-27-14-6-7-15-27)24(29)22-18-23(19-10-12-21(30-2)13-11-19)28(25-22)20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-17H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide?
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 56509594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).