N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide

C22H24N4O3S — CID 108746120

IUPACN,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C22H24N4O3S/c1-3-25(4-2)22(29)17-15-23-26(16-9-6-5-7-10-16)21(17)24-20(28)13-12-18(27)19-11-8-14-30-19/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,28)
InChIKeyPSGNYTIJSBTIPR-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.02
Rot. Bonds9

About N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 108746120) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID108746120
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C22H24N4O3S/c1-3-25(4-2)22(29)17-15-23-26(16-9-6-5-7-10-16)21(17)24-20(28)13-12-18(27)19-11-8-14-30-19/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,28)
InChIKeyPSGNYTIJSBTIPR-UHFFFAOYSA-N
XLogP4.02
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746038
N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide
CID 108746028
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 108746120) is N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCC(=O)c1cccs1.
What is the InChIKey of N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is PSGNYTIJSBTIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-3-25(4-2)22(29)17-15-23-26(16-9-6-5-7-10-16)21(17)24-20(28)13-12-18(27)19-11-8-14-30-19/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,28).
What are the key properties of N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108746120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).