3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile

C11H10N4 — CID 23356679

IUPAC3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
SMILESCc1ccc(-c2[nH]nc(N)c2C#N)cc1
InChIInChI=1S/C11H10N4/c1-7-2-4-8(5-3-7)10-9(6-12)11(13)15-14-10/h2-5H,1H3,(H3,13,14,15)
InChIKeySWUAKDRDFUUISX-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.84
Rot. Bonds1

About 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile

3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile (PubChem CID 23356679) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
PubChem CID23356679
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
SMILESCc1ccc(-c2[nH]nc(N)c2C#N)cc1
InChIInChI=1S/C11H10N4/c1-7-2-4-8(5-3-7)10-9(6-12)11(13)15-14-10/h2-5H,1H3,(H3,13,14,15)
InChIKeySWUAKDRDFUUISX-UHFFFAOYSA-N
XLogP1.84
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile (CID 23356679) is 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is Cc1ccc(-c2[nH]nc(N)c2C#N)cc1.
What is the InChIKey of 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is SWUAKDRDFUUISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-7-2-4-8(5-3-7)10-9(6-12)11(13)15-14-10/h2-5H,1H3,(H3,13,14,15).
What are the key properties of 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile?
3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 23356679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).