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

C14H17N5 — CID 66029081

IUPAC3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile
SMILESCc1nn(C(C)C)c(Nc2cccc(C#N)c2)c1N
InChIInChI=1S/C14H17N5/c1-9(2)19-14(13(16)10(3)18-19)17-12-6-4-5-11(7-12)8-15/h4-7,9,17H,16H2,1-3H3
InChIKeyFGQVRZVSVANUMT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.97
Rot. Bonds3

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

3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile (PubChem CID 66029081) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile
PubChem CID66029081
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile
SMILESCc1nn(C(C)C)c(Nc2cccc(C#N)c2)c1N
InChIInChI=1S/C14H17N5/c1-9(2)19-14(13(16)10(3)18-19)17-12-6-4-5-11(7-12)8-15/h4-7,9,17H,16H2,1-3H3
InChIKeyFGQVRZVSVANUMT-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile
CID 66012800
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-4-bromobenzonitrile
CID 107797167
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 80927950
5-N-(3-bromo-5-methoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 82857326
3-(3-amino-5-methylanilino)benzonitrile
CID 112647049
3-(4-amino-5-chloro-2-methylanilino)benzonitrile
CID 113334167
3-[(2-amino-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80760475
3-[(5-methyl-3-pyridinyl)amino]benzonitrile
CID 71051336
3-(4-amino-2-bromo-5-methylanilino)benzonitrile
CID 114048145
7-(3-cyanoanilino)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034608
3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554187

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile?
The IUPAC name of 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile (CID 66029081) is 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile?
The canonical SMILES for 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile is Cc1nn(C(C)C)c(Nc2cccc(C#N)c2)c1N.
What is the InChIKey of 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile?
The InChIKey is FGQVRZVSVANUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9(2)19-14(13(16)10(3)18-19)17-12-6-4-5-11(7-12)8-15/h4-7,9,17H,16H2,1-3H3.
What are the key properties of 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile?
3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile is sourced from PubChem (CID 66029081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).