N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

C16H18N4O — CID 110615090

IUPACN-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)C#N)nn2C)cc1
InChIInChI=1S/C16H18N4O/c1-11-5-7-12(8-6-11)14-9-13(19-20(14)4)15(21)18-16(2,3)10-17/h5-9H,1-4H3,(H,18,21)
InChIKeyJBIOJRDWABHHPV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.43
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 110615090) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID110615090
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)C#N)nn2C)cc1
InChIInChI=1S/C16H18N4O/c1-11-5-7-12(8-6-11)14-9-13(19-20(14)4)15(21)18-16(2,3)10-17/h5-9H,1-4H3,(H,18,21)
InChIKeyJBIOJRDWABHHPV-UHFFFAOYSA-N
XLogP2.43
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropan-2-yl)-1-(1,1-dioxothiolan-3-yl)-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110615091
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
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1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110299434
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
5-(4-bromophenyl)-N,1-dimethylpyrazole-3-carboxamide
CID 135267865
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110303367
N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63930204
5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
1-methyl-5-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-3-carboxamide
CID 110615827
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (CID 110615090) is N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)(C)C#N)nn2C)cc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is JBIOJRDWABHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-5-7-12(8-6-11)14-9-13(19-20(14)4)15(21)18-16(2,3)10-17/h5-9H,1-4H3,(H,18,21).
What are the key properties of N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110615090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).