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

C14H17N3O — CID 47445811

IUPAC5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)c2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3O/c1-10-9-12(17-16-10)13(18)15-14(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,15,18)(H,16,17)
InChIKeyLCFUYGSWMOGLFA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds3

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

5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 47445811) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID47445811
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)c2ccccc2)n[nH]1
InChIInChI=1S/C14H17N3O/c1-10-9-12(17-16-10)13(18)15-14(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,15,18)(H,16,17)
InChIKeyLCFUYGSWMOGLFA-UHFFFAOYSA-N
XLogP2.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide (CID 47445811) is 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)(C)c2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is LCFUYGSWMOGLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-9-12(17-16-10)13(18)15-14(2,3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47445811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).