5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile

C17H14N4 — CID 39103164

IUPAC5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile
SMILESCc1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1
InChIInChI=1S/C17H14N4/c1-12-7-9-13(10-8-12)16-15(11-18)17(19)21(20-16)14-5-3-2-4-6-14/h2-10H,19H2,1H3
InChIKeyZKZRLXYXZJKZLD-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.30
Rot. Bonds2

About 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile

5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile (PubChem CID 39103164) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile
PubChem CID39103164
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile
SMILESCc1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1
InChIInChI=1S/C17H14N4/c1-12-7-9-13(10-8-12)16-15(11-18)17(19)21(20-16)14-5-3-2-4-6-14/h2-10H,19H2,1H3
InChIKeyZKZRLXYXZJKZLD-UHFFFAOYSA-N
XLogP3.30
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile (CID 39103164) is 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile is Cc1ccc(-c2nn(-c3ccccc3)c(N)c2C#N)cc1.
What is the InChIKey of 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile?
The InChIKey is ZKZRLXYXZJKZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-12-7-9-13(10-8-12)16-15(11-18)17(19)21(20-16)14-5-3-2-4-6-14/h2-10H,19H2,1H3.
What are the key properties of 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile?
5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-methylphenyl)-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 39103164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).