5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile

C20H19N3 — CID 82220312

IUPAC5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile
SMILESCC(C)Cc1ccc(-c2cc(C#N)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H19N3/c1-15(2)12-16-8-10-17(11-9-16)20-13-18(14-21)22-23(20)19-6-4-3-5-7-19/h3-11,13,15H,12H2,1-2H3
InChIKeyKEHGARVXLVLWHH-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.61
Rot. Bonds4

About 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile

5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile (PubChem CID 82220312) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile
PubChem CID82220312
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile
SMILESCC(C)Cc1ccc(-c2cc(C#N)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H19N3/c1-15(2)12-16-8-10-17(11-9-16)20-13-18(14-21)22-23(20)19-6-4-3-5-7-19/h3-11,13,15H,12H2,1-2H3
InChIKeyKEHGARVXLVLWHH-UHFFFAOYSA-N
XLogP4.61
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carbonitrile
CID 94962258
5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220131
1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
CID 82220313
1-phenyl-5-propan-2-ylpyrazole-3-carbonitrile
CID 39242818
1,5-bis(4-chlorophenyl)pyrazole-3-carbonitrile
CID 94962068
5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile
CID 94962125
5-(4-tert-butylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 94962087
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile
CID 139667768
5-(4-methylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile
CID 19886221
5-(4-chloro-3-methylphenyl)-1-(3-chlorophenyl)pyrazole-3-carbonitrile
CID 82220158

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile?
The IUPAC name of 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile (CID 82220312) is 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile?
The canonical SMILES for 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile is CC(C)Cc1ccc(-c2cc(C#N)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile?
The InChIKey is KEHGARVXLVLWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-15(2)12-16-8-10-17(11-9-16)20-13-18(14-21)22-23(20)19-6-4-3-5-7-19/h3-11,13,15H,12H2,1-2H3.
What are the key properties of 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile?
5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile is sourced from PubChem (CID 82220312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).