3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile

C15H17N3 — CID 82044392

IUPAC3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile
SMILESCc1nn(-c2ccc(C(C)C)cc2)c(C)c1C#N
InChIInChI=1S/C15H17N3/c1-10(2)13-5-7-14(8-6-13)18-12(4)15(9-16)11(3)17-18/h5-8,10H,1-4H3
InChIKeyROOVDGTXUNDPBL-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.48
Rot. Bonds2

About 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile

3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile (PubChem CID 82044392) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile
PubChem CID82044392
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile
SMILESCc1nn(-c2ccc(C(C)C)cc2)c(C)c1C#N
InChIInChI=1S/C15H17N3/c1-10(2)13-5-7-14(8-6-13)18-12(4)15(9-16)11(3)17-18/h5-8,10H,1-4H3
InChIKeyROOVDGTXUNDPBL-UHFFFAOYSA-N
XLogP3.48
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39375121
3,4,5-trimethyl-1-(4-propan-2-ylphenyl)pyrazole
CID 166116933
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
CID 39247651
N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide
CID 12522117
5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile
CID 16767663
1,3-dimethyl-5-(4-propan-2-ylphenyl)sulfanylpyrazole-4-carbonitrile
CID 55243875
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
1-(2,5-dichlorophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39365306
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 62130370
(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 78937591
1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39246638

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile (CID 82044392) is 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile is Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1C#N.
What is the InChIKey of 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile?
The InChIKey is ROOVDGTXUNDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10(2)13-5-7-14(8-6-13)18-12(4)15(9-16)11(3)17-18/h5-8,10H,1-4H3.
What are the key properties of 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile?
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 82044392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).