5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide

C21H21ClN4O2 — CID 108768336

IUPAC5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O2/c1-3-25(4-2)21(28)18-14-23-26(17-8-6-5-7-9-17)19(18)24-20(27)15-10-12-16(22)13-11-15/h5-14H,3-4H2,1-2H3,(H,24,27)
InChIKeyZUVMAMQVMZULEM-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.26
Rot. Bonds6

About 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide

5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108768336) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
PubChem CID108768336
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN4O2/c1-3-25(4-2)21(28)18-14-23-26(17-8-6-5-7-9-17)19(18)24-20(27)15-10-12-16(22)13-11-15/h5-14H,3-4H2,1-2H3,(H,24,27)
InChIKeyZUVMAMQVMZULEM-UHFFFAOYSA-N
XLogP4.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768353
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746038

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide (CID 108768336) is 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZUVMAMQVMZULEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-3-25(4-2)21(28)18-14-23-26(17-8-6-5-7-9-17)19(18)24-20(27)15-10-12-16(22)13-11-15/h5-14H,3-4H2,1-2H3,(H,24,27).
What are the key properties of 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108768336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).