5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile

C14H16N4 — CID 162638703

IUPAC5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Nc2cccc(C(C)C)c2)c1C#N
InChIInChI=1S/C14H16N4/c1-9(2)11-5-4-6-12(7-11)16-14-13(8-15)10(3)17-18-14/h4-7,9H,1-3H3,(H2,16,17,18)
InChIKeyUVLWLVGJCGWSLS-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.46
Rot. Bonds3

About 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile

5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile (PubChem CID 162638703) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile
PubChem CID162638703
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Nc2cccc(C(C)C)c2)c1C#N
InChIInChI=1S/C14H16N4/c1-9(2)11-5-4-6-12(7-11)16-14-13(8-15)10(3)17-18-14/h4-7,9H,1-3H3,(H2,16,17,18)
InChIKeyUVLWLVGJCGWSLS-UHFFFAOYSA-N
XLogP3.46
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 63510093
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
CID 78910919
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
6-chloro-5-methyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734214
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
2,3-difluoro-4-(3-propan-2-ylanilino)benzonitrile
CID 107933319
5-(3-chloroanilino)-3-(methylamino)-1H-pyrazole-4-carbonitrile
CID 147162086
4,6-dimethyl-2-(4-propan-2-ylanilino)pyridine-3-carbonitrile
CID 60710577
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 86791972

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile (CID 162638703) is 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile is Cc1[nH]nc(Nc2cccc(C(C)C)c2)c1C#N.
What is the InChIKey of 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile?
The InChIKey is UVLWLVGJCGWSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9(2)11-5-4-6-12(7-11)16-14-13(8-15)10(3)17-18-14/h4-7,9H,1-3H3,(H2,16,17,18).
What are the key properties of 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile?
5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 162638703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).