2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile

C14H17N5 — CID 66019927

IUPAC2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile
SMILESCC(C)c1nn(C)c(Nc2ccccc2C#N)c1N
InChIInChI=1S/C14H17N5/c1-9(2)13-12(16)14(19(3)18-13)17-11-7-5-4-6-10(11)8-15/h4-7,9,17H,16H2,1-3H3
InChIKeyACHBKJJXQVROLI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.74
Rot. Bonds3

About 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile

2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile (PubChem CID 66019927) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile
PubChem CID66019927
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile
SMILESCC(C)c1nn(C)c(Nc2ccccc2C#N)c1N
InChIInChI=1S/C14H17N5/c1-9(2)13-12(16)14(19(3)18-13)17-11-7-5-4-6-10(11)8-15/h4-7,9,17H,16H2,1-3H3
InChIKeyACHBKJJXQVROLI-UHFFFAOYSA-N
XLogP2.74
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]benzonitrile
CID 43554163
1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
CID 66018377
4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66019778
1-methyl-5-N-(1-phenylethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018949
5-N-(4-bromo-2-fluorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017406
5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018572
5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018376
5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017245
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-6-fluorobenzonitrile
CID 43580488
2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865526
1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
CID 106894776
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile?
The IUPAC name of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile (CID 66019927) is 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile is CC(C)c1nn(C)c(Nc2ccccc2C#N)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile?
The InChIKey is ACHBKJJXQVROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9(2)13-12(16)14(19(3)18-13)17-11-7-5-4-6-10(11)8-15/h4-7,9,17H,16H2,1-3H3.
What are the key properties of 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile?
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile is sourced from PubChem (CID 66019927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).