3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide

C15H19N5O2 — CID 119628077

IUPAC3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
SMILESCC(C)(N)CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c1-15(2,17)9-18-14(22)11-8-12(13(16)21)20(19-11)10-6-4-3-5-7-10/h3-8H,9,17H2,1-2H3,(H2,16,21)(H,18,22)
InChIKeySPBGXHIGOYTLFJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.44
Rot. Bonds5

About 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide

3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide (PubChem CID 119628077) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
PubChem CID119628077
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
SMILESCC(C)(N)CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c1-15(2,17)9-18-14(22)11-8-12(13(16)21)20(19-11)10-6-4-3-5-7-10/h3-8H,9,17H2,1-2H3,(H2,16,21)(H,18,22)
InChIKeySPBGXHIGOYTLFJ-UHFFFAOYSA-N
XLogP0.44
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-N-[(2R)-2-phenylpropyl]pyrazole-3,5-dicarboxamide
CID 95327410
3-N-[3-(methylamino)propyl]-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119431722
1-[[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544814
1-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119128240
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119129360
3-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylpyrazole-3,5-dicarboxamide
CID 119138871
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809
1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
CID 119128221
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
3-N-(3-ethoxy-2,2-diethylcyclobutyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119146327
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide (CID 119628077) is 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide is CC(C)(N)CNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.
What is the InChIKey of 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide?
The InChIKey is SPBGXHIGOYTLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-15(2,17)9-18-14(22)11-8-12(13(16)21)20(19-11)10-6-4-3-5-7-10/h3-8H,9,17H2,1-2H3,(H2,16,21)(H,18,22).
What are the key properties of 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide?
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 119628077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).