N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide

C13H15N3O — CID 47444796

IUPACN-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(NC(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-13(2,10-6-4-3-5-7-10)15-12(17)11-8-9-14-16-11/h3-9H,1-2H3,(H,14,16)(H,15,17)
InChIKeyBHGQADKQGQFAIR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.07
Rot. Bonds3

About N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide

N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 47444796) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID47444796
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(C)(NC(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C13H15N3O/c1-13(2,10-6-4-3-5-7-10)15-12(17)11-8-9-14-16-11/h3-9H,1-2H3,(H,14,16)(H,15,17)
InChIKeyBHGQADKQGQFAIR-UHFFFAOYSA-N
XLogP2.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N'-benzoyl-1H-pyrazole-5-carbohydrazide
CID 12921225
5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 47445811
2-phenylpropan-2-ylcarbamic acid
CID 23445609
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-(1-amino-3-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 106164166
N-(1-amino-2,3-dimethylbutan-2-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119606629
1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 47400529
methyl 3-(4-fluorophenyl)-3-(1H-pyrazole-5-carbonylamino)butanoate
CID 102562700

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide (CID 47444796) is N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide is CC(C)(NC(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is BHGQADKQGQFAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-13(2,10-6-4-3-5-7-10)15-12(17)11-8-9-14-16-11/h3-9H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide?
N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47444796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).