N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide

C17H23N3O — CID 11403408

IUPACN,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1C(C)C
InChIInChI=1S/C17H23N3O/c1-5-19(6-2)17(21)15-12-18-20(16(15)13(3)4)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
InChIKeyOJVXUZUIKFJOPE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.48
Rot. Bonds5

About N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide

N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 11403408) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID11403408
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1C(C)C
InChIInChI=1S/C17H23N3O/c1-5-19(6-2)17(21)15-12-18-20(16(15)13(3)4)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
InChIKeyOJVXUZUIKFJOPE-UHFFFAOYSA-N
XLogP3.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
1-(3-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 55575572
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide (CID 11403408) is N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1C(C)C.
What is the InChIKey of N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is OJVXUZUIKFJOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-19(6-2)17(21)15-12-18-20(16(15)13(3)4)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide?
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 11403408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).