1-methyl-5-phenylpyrazole-4-carbonitrile

C11H9N3 — CID 139271334

IUPAC1-methyl-5-phenylpyrazole-4-carbonitrile
SMILESCn1ncc(C#N)c1-c1ccccc1
InChIInChI=1S/C11H9N3/c1-14-11(10(7-12)8-13-14)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKeyJHZLNSXXZZKSMK-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.96
Rot. Bonds1

About 1-methyl-5-phenylpyrazole-4-carbonitrile

1-methyl-5-phenylpyrazole-4-carbonitrile (PubChem CID 139271334) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-methyl-5-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-phenylpyrazole-4-carbonitrile
PubChem CID139271334
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name1-methyl-5-phenylpyrazole-4-carbonitrile
SMILESCn1ncc(C#N)c1-c1ccccc1
InChIInChI=1S/C11H9N3/c1-14-11(10(7-12)8-13-14)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKeyJHZLNSXXZZKSMK-UHFFFAOYSA-N
XLogP1.96
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylpyrazole-4-carbonitrile?
The IUPAC name of 1-methyl-5-phenylpyrazole-4-carbonitrile (CID 139271334) is 1-methyl-5-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-5-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 1-methyl-5-phenylpyrazole-4-carbonitrile is Cn1ncc(C#N)c1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenylpyrazole-4-carbonitrile?
The InChIKey is JHZLNSXXZZKSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-14-11(10(7-12)8-13-14)9-5-3-2-4-6-9/h2-6,8H,1H3.
What are the key properties of 1-methyl-5-phenylpyrazole-4-carbonitrile?
1-methyl-5-phenylpyrazole-4-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 139271334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).