3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile

C15H19N5 — CID 66017722

IUPAC3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile
SMILESCCCc1nn(C)c(NCc2cccc(C#N)c2)c1N
InChIInChI=1S/C15H19N5/c1-3-5-13-14(17)15(20(2)19-13)18-10-12-7-4-6-11(8-12)9-16/h4,6-8,18H,3,5,10,17H2,1-2H3
InChIKeyLZVQFZWRKLESBT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.44
Rot. Bonds5

About 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile

3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile (PubChem CID 66017722) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile
PubChem CID66017722
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile
SMILESCCCc1nn(C)c(NCc2cccc(C#N)c2)c1N
InChIInChI=1S/C15H19N5/c1-3-5-13-14(17)15(20(2)19-13)18-10-12-7-4-6-11(8-12)9-16/h4,6-8,18H,3,5,10,17H2,1-2H3
InChIKeyLZVQFZWRKLESBT-UHFFFAOYSA-N
XLogP2.44
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-benzyl-3-methyl-1H-pyrazole-4-carbonitrile
CID 683821
N-[2-(2-cyanoethyl)-5-methyl-3-pyrazolyl]-N''-methylbenzenecarboximidamide
CID 2324502
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-fluoro-N'-methylbenzenecarboximidamide
CID 2324519
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-fluoro-N'-methylbenzenecarboximidamide
CID 2324656
5-Amino-3-(1-naphthalenylmethyl)-1-propan-2-yl-4-pyrazolecarbonitrile
CID 24747154
5-Amino-1-ethyl-3-(1-naphthalenylmethyl)-4-pyrazolecarbonitrile
CID 24747155
1,3,8-Trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
CID 12751409
1,3-dimethyl-4-(3-methylphenyl)-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
CID 136114674
3-(1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepin-4-yl)benzonitrile
CID 136114675
3-(1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepin-4-yl)aniline
CID 136114676
4-(3-azidophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
CID 136114691
1H-Pyrazole-4-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-3-phenyl-
CID 10610088

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile (CID 66017722) is 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile is CCCc1nn(C)c(NCc2cccc(C#N)c2)c1N.
What is the InChIKey of 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile?
The InChIKey is LZVQFZWRKLESBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-3-5-13-14(17)15(20(2)19-13)18-10-12-7-4-6-11(8-12)9-16/h4,6-8,18H,3,5,10,17H2,1-2H3.
What are the key properties of 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile?
3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 66017722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).