1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide

C21H22ClN3O2 — CID 42755325

IUPAC1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O2/c1-4-24(5-2)21(26)20-14-19(15-6-12-18(27-3)13-7-15)23-25(20)17-10-8-16(22)9-11-17/h6-14H,4-5H2,1-3H3
InChIKeyCRWUCEPXJLADNA-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.68
Rot. Bonds6

About 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide

1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 42755325) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID42755325
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O2/c1-4-24(5-2)21(26)20-14-19(15-6-12-18(27-3)13-7-15)23-25(20)17-10-8-16(22)9-11-17/h6-14H,4-5H2,1-3H3
InChIKeyCRWUCEPXJLADNA-UHFFFAOYSA-N
XLogP4.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3919541
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660597
3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 16546557
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871386
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 4255211
N-benzyl-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3885248
methyl 3-(4-chlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxylate
CID 175820685
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide (CID 42755325) is 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide is CCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is CRWUCEPXJLADNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-4-24(5-2)21(26)20-14-19(15-6-12-18(27-3)13-7-15)23-25(20)17-10-8-16(22)9-11-17/h6-14H,4-5H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42755325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).