3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide

C20H25N5O3 — CID 119129360

IUPAC3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H25N5O3/c1-20(2,3)19(28)24-11-9-23(10-12-24)18(27)15-13-16(17(21)26)25(22-15)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H2,21,26)
InChIKeyGABUICCLFQAGSJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.30
Rot. Bonds3

About 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide

3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 119129360) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
PubChem CID119129360
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H25N5O3/c1-20(2,3)19(28)24-11-9-23(10-12-24)18(27)15-13-16(17(21)26)25(22-15)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H2,21,26)
InChIKeyGABUICCLFQAGSJ-UHFFFAOYSA-N
XLogP1.30
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide
CID 119138860
1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118366
3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119379377
methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate
CID 119129371
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119436037
4-[[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methyl]benzamide
CID 112842395
2,2-dimethyl-1-[4-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 55774855
5-(4-methylidenepiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 167976779
1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 95327410
3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 97060681
1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
CID 119128221

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide (CID 119129360) is 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide is CC(C)(C)C(=O)N1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is GABUICCLFQAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-20(2,3)19(28)24-11-9-23(10-12-24)18(27)15-13-16(17(21)26)25(22-15)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H2,21,26).
What are the key properties of 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide?
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 119129360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).