3-anilino-5-methyl-1H-pyrazole-4-carbonitrile

C11H10N4 — CID 10488180

IUPAC3-anilino-5-methyl-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Nc2ccccc2)c1C#N
InChIInChI=1S/C11H10N4/c1-8-10(7-12)11(15-14-8)13-9-5-3-2-4-6-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyAXGMNFSGTHJRLF-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.33
Rot. Bonds2

About 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile

3-anilino-5-methyl-1H-pyrazole-4-carbonitrile (PubChem CID 10488180) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-anilino-5-methyl-1H-pyrazole-4-carbonitrile
PubChem CID10488180
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-anilino-5-methyl-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Nc2ccccc2)c1C#N
InChIInChI=1S/C11H10N4/c1-8-10(7-12)11(15-14-8)13-9-5-3-2-4-6-9/h2-6H,1H3,(H2,13,14,15)
InChIKeyAXGMNFSGTHJRLF-UHFFFAOYSA-N
XLogP2.33
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile (CID 10488180) is 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile is Cc1[nH]nc(Nc2ccccc2)c1C#N.
What is the InChIKey of 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile?
The InChIKey is AXGMNFSGTHJRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-10(7-12)11(15-14-8)13-9-5-3-2-4-6-9/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile?
3-anilino-5-methyl-1H-pyrazole-4-carbonitrile has a molecular weight of 198.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-methyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10488180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).