5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

C12H18N4 — CID 105473125

IUPAC5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCC(C)Cn1nc2c(c1C#N)CN(C)CC2
InChIInChI=1S/C12H18N4/c1-9(2)7-16-12(6-13)10-8-15(3)5-4-11(10)14-16/h9H,4-5,7-8H2,1-3H3
InChIKeyKDFDHPPGJWCPLT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.40
Rot. Bonds2

About 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 105473125) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID105473125
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCC(C)Cn1nc2c(c1C#N)CN(C)CC2
InChIInChI=1S/C12H18N4/c1-9(2)7-16-12(6-13)10-8-15(3)5-4-11(10)14-16/h9H,4-5,7-8H2,1-3H3
InChIKeyKDFDHPPGJWCPLT-UHFFFAOYSA-N
XLogP1.40
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105456674
[6-methyl-1-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 105479848
2-ethyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 105439070
(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 112711117
5-methyl-1-(2-methylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 176983612
2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile
CID 112708628
2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile
CID 82585678
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 105456666
3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile
CID 82623202
5-amino-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 43145819
1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586237
5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 105463388

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (CID 105473125) is 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is CC(C)Cn1nc2c(c1C#N)CN(C)CC2.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is KDFDHPPGJWCPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9(2)7-16-12(6-13)10-8-15(3)5-4-11(10)14-16/h9H,4-5,7-8H2,1-3H3.
What are the key properties of 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 105473125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).