3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C16H16ClN3O — CID 134806853

IUPAC3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccccc3Cl)n[nH]c2CN1CC1CC1
InChIInChI=1S/C16H16ClN3O/c17-13-4-2-1-3-11(13)16-12-7-15(21)20(8-10-5-6-10)9-14(12)18-19-16/h1-4,10H,5-9H2,(H,18,19)
InChIKeyNJQHYAWRGRTWAE-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134806853) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134806853
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccccc3Cl)n[nH]c2CN1CC1CC1
InChIInChI=1S/C16H16ClN3O/c17-13-4-2-1-3-11(13)16-12-7-15(21)20(8-10-5-6-10)9-14(12)18-19-16/h1-4,10H,5-9H2,(H,18,19)
InChIKeyNJQHYAWRGRTWAE-UHFFFAOYSA-N
XLogP3.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134806853) is 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3ccccc3Cl)n[nH]c2CN1CC1CC1.
What is the InChIKey of 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is NJQHYAWRGRTWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-4-2-1-3-11(13)16-12-7-15(21)20(8-10-5-6-10)9-14(12)18-19-16/h1-4,10H,5-9H2,(H,18,19).
What are the key properties of 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 301.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(cyclopropylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134806853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).