3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile

C11H10N4 — CID 79002314

IUPAC3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1ccccc1-n1cc(C#N)c(N)n1
InChIInChI=1S/C11H10N4/c1-8-4-2-3-5-10(8)15-7-9(6-12)11(13)14-15/h2-5,7H,1H3,(H2,13,14)
InChIKeyKVZVCSKYIVSAPN-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.63
Rot. Bonds1

About 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile

3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile (PubChem CID 79002314) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile
PubChem CID79002314
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1ccccc1-n1cc(C#N)c(N)n1
InChIInChI=1S/C11H10N4/c1-8-4-2-3-5-10(8)15-7-9(6-12)11(13)14-15/h2-5,7H,1H3,(H2,13,14)
InChIKeyKVZVCSKYIVSAPN-UHFFFAOYSA-N
XLogP1.63
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile (CID 79002314) is 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile is Cc1ccccc1-n1cc(C#N)c(N)n1.
What is the InChIKey of 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile?
The InChIKey is KVZVCSKYIVSAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-4-2-3-5-10(8)15-7-9(6-12)11(13)14-15/h2-5,7H,1H3,(H2,13,14).
What are the key properties of 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile?
3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 79002314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).