1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide

C25H25ClN4O2 — CID 24542676

IUPAC1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C25H25ClN4O2/c1-29(2)22(23-9-6-14-32-23)15-27-25(31)21-17-30(16-18-7-4-3-5-8-18)28-24(21)19-10-12-20(26)13-11-19/h3-14,17,22H,15-16H2,1-2H3,(H,27,31)
InChIKeyCEGHYZGRNAHEGM-UHFFFAOYSA-N
MW448.95 g/mol
LogP4.88
Rot. Bonds8

About 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide

1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 24542676) has the molecular formula C25H25ClN4O2 and a molecular weight of 448.95 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
PubChem CID24542676
Molecular FormulaC25H25ClN4O2
Molecular Weight448.95 g/mol
Exact Mass448.17
IUPAC Name1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C25H25ClN4O2/c1-29(2)22(23-9-6-14-32-23)15-27-25(31)21-17-30(16-18-7-4-3-5-8-18)28-24(21)19-10-12-20(26)13-11-19/h3-14,17,22H,15-16H2,1-2H3,(H,27,31)
InChIKeyCEGHYZGRNAHEGM-UHFFFAOYSA-N
XLogP4.88
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.95
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 40815406
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 42916251
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
1-benzyl-N,N-dimethyl-3-phenylpyrazole-4-carboxamide
CID 17423011
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 46528850

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide (CID 24542676) is 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide is CN(C)C(CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is CEGHYZGRNAHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2/c1-29(2)22(23-9-6-14-32-23)15-27-25(31)21-17-30(16-18-7-4-3-5-8-18)28-24(21)19-10-12-20(26)13-11-19/h3-14,17,22H,15-16H2,1-2H3,(H,27,31).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24542676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).