2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile

C15H22N4 — CID 82585975

IUPAC2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile
SMILESCN1CCc2c(c(C3CCCCC3)nn2CC#N)C1
InChIInChI=1S/C15H22N4/c1-18-9-7-14-13(11-18)15(17-19(14)10-8-16)12-5-3-2-4-6-12/h12H,2-7,9-11H2,1H3
InChIKeyBRAZFIRSDKURDS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.44
Rot. Bonds2

About 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile

2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile (PubChem CID 82585975) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile
PubChem CID82585975
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile
SMILESCN1CCc2c(c(C3CCCCC3)nn2CC#N)C1
InChIInChI=1S/C15H22N4/c1-18-9-7-14-13(11-18)15(17-19(14)10-8-16)12-5-3-2-4-6-12/h12H,2-7,9-11H2,1H3
InChIKeyBRAZFIRSDKURDS-UHFFFAOYSA-N
XLogP2.44
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile?
The IUPAC name of 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile (CID 82585975) is 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile?
The canonical SMILES for 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile is CN1CCc2c(c(C3CCCCC3)nn2CC#N)C1.
What is the InChIKey of 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile?
The InChIKey is BRAZFIRSDKURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18-9-7-14-13(11-18)15(17-19(14)10-8-16)12-5-3-2-4-6-12/h12H,2-7,9-11H2,1H3.
What are the key properties of 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile?
2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)acetonitrile is sourced from PubChem (CID 82585975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).