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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Related Compounds

2-Phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 7694329
(3R)-3-amino-1-{3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-4-(2,5-difluorophenyl)butan-1-one
CID 23645934
[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 118483372
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 23654663
3-[4-(2-Chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
CID 118483414
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-methylpiperazin-1-yl)methanone
CID 24178134
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-ethylpiperazin-1-yl)methanone
CID 24178135
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3,5-diethyl-1H-pyrazol-4-yl)propanamide
CID 49863038
N-[(2-chloro-4-fluorophenyl)methyl]-3-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]propanamide
CID 49863078
N-[(2-chloro-4-fluorophenyl)methyl]-3-[5-methyl-3-(2-methylpropyl)-1H-pyrazol-4-yl]propanamide
CID 49863079
N-[(3R)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168274463
[4-(2-Chloro-3-fluorophenyl)piperidin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 118483331

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).