1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride

C12H14ClN3O — CID 122714807

IUPAC1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
SMILESCl.O=c1[nH]n(-c2ccccc2)c2c1CNCC2
InChIInChI=1S/C12H13N3O.ClH/c16-12-10-8-13-7-6-11(10)15(14-12)9-4-2-1-3-5-9;/h1-5,13H,6-8H2,(H,14,16);1H
InChIKeyFSRVCPZYWJRGRA-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.23
Rot. Bonds1

About 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride

1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride (PubChem CID 122714807) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
PubChem CID122714807
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
SMILESCl.O=c1[nH]n(-c2ccccc2)c2c1CNCC2
InChIInChI=1S/C12H13N3O.ClH/c16-12-10-8-13-7-6-11(10)15(14-12)9-4-2-1-3-5-9;/h1-5,13H,6-8H2,(H,14,16);1H
InChIKeyFSRVCPZYWJRGRA-UHFFFAOYSA-N
XLogP1.23
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The IUPAC name of 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride (CID 122714807) is 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride.
What is the SMILES notation for 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The canonical SMILES for 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride is Cl.O=c1[nH]n(-c2ccccc2)c2c1CNCC2.
What is the InChIKey of 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The InChIKey is FSRVCPZYWJRGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.ClH/c16-12-10-8-13-7-6-11(10)15(14-12)9-4-2-1-3-5-9;/h1-5,13H,6-8H2,(H,14,16);1H.
What are the key properties of 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride is sourced from PubChem (CID 122714807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).