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

C10H14N4 — CID 82585678

IUPAC2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile
SMILESCc1nn(CC#N)c2c1CN(C)CC2
InChIInChI=1S/C10H14N4/c1-8-9-7-13(2)5-3-10(9)14(12-8)6-4-11/h3,5-7H2,1-2H3
InChIKeyKLMOATRRPKRDTI-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.70
Rot. Bonds1

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

2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile (PubChem CID 82585678) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile
PubChem CID82585678
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile
SMILESCc1nn(CC#N)c2c1CN(C)CC2
InChIInChI=1S/C10H14N4/c1-8-9-7-13(2)5-3-10(9)14(12-8)6-4-11/h3,5-7H2,1-2H3
InChIKeyKLMOATRRPKRDTI-UHFFFAOYSA-N
XLogP0.70
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile?
The IUPAC name of 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile (CID 82585678) is 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile.
What is the SMILES notation for 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile?
The canonical SMILES for 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile is Cc1nn(CC#N)c2c1CN(C)CC2.
What is the InChIKey of 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile?
The InChIKey is KLMOATRRPKRDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8-9-7-13(2)5-3-10(9)14(12-8)6-4-11/h3,5-7H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile?
2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetonitrile is sourced from PubChem (CID 82585678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).