5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide

C15H19N3O — CID 47297607

IUPAC5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)c2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3O/c1-11-9-13(18-17-11)14(19)16-10-15(2,3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySHBKAVIOYAYXCV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.43
Rot. Bonds4

About 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide

5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 47297607) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID47297607
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)c2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3O/c1-11-9-13(18-17-11)14(19)16-10-15(2,3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeySHBKAVIOYAYXCV-UHFFFAOYSA-N
XLogP2.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
CID 47338743
2,2-dimethyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 81367172
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 66174202
5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 47445811
2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid
CID 119201770
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 79986288
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
CID 110474878
4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 81228566

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide (CID 47297607) is 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCC(C)(C)c2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is SHBKAVIOYAYXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-9-13(18-17-11)14(19)16-10-15(2,3)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47297607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).