N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide

C17H22N4O2 — CID 108746073

IUPACN,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
SMILESCCC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-4-15(22)19-16-14(17(23)20(5-2)6-3)12-18-21(16)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3,(H,19,22)
InChIKeyHAOVQAYRCVHFPZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.70
Rot. Bonds6

About N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide

N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide (PubChem CID 108746073) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
PubChem CID108746073
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
SMILESCCC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-4-15(22)19-16-14(17(23)20(5-2)6-3)12-18-21(16)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3,(H,19,22)
InChIKeyHAOVQAYRCVHFPZ-UHFFFAOYSA-N
XLogP2.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746120
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
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
5-(cyclohexylcarbamoylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108783809

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide (CID 108746073) is N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide is CCC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1.
What is the InChIKey of N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide?
The InChIKey is HAOVQAYRCVHFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-15(22)19-16-14(17(23)20(5-2)6-3)12-18-21(16)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3,(H,19,22).
What are the key properties of N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide?
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 108746073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).