3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C6H4ClN3O — CID 134128891

IUPAC3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2c(Cl)c[nH]n12
InChIInChI=1S/C6H4ClN3O/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H
InChIKeyGKCZQNZLJDDRQO-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.68
Rot. Bonds

About 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134128891) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134128891
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1ccnc2c(Cl)c[nH]n12
InChIInChI=1S/C6H4ClN3O/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H
InChIKeyGKCZQNZLJDDRQO-UHFFFAOYSA-N
XLogP0.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazolo[1,5-a]pyrimidin-7-ol
CID 335418
5-chloro-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13465974
5-(chloromethyl)-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 50988917
3-Bromo-4h-pyrazolo[1,5-a]pyrimidin-7-one
CID 83678939
5-Aminopyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 13396556
5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177088883
3-Aminopyrazolo[1,5-a]pyrimidin-7-ol
CID 15847419
3-AMINOPYRAZOLO[1,5-a]PYRIMIDIN-7-OL HYDROCHLORIDE
CID 18692774
3-Methylpyrazolo[1,5-a]pyrimidin-7(1H)-one
CID 20621571
2-Bromopyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 46180048
6-Chloro-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
CID 69004452
2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 118167245

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134128891) is 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1ccnc2c(Cl)c[nH]n12.
What is the InChIKey of 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GKCZQNZLJDDRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H.
What are the key properties of 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 169.57 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134128891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).