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

C7H6ClN3O — CID 69004452

IUPAC6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1Cl
InChIInChI=1S/C7H6ClN3O/c1-4-6(8)7(12)11-5(10-4)2-3-9-11/h2-3,9H,1H3
InChIKeyKTRFHNNAVMPPRU-UHFFFAOYSA-N
MW183.60 g/mol
LogP0.98
Rot. Bonds

About 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 69004452) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID69004452
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1Cl
InChIInChI=1S/C7H6ClN3O/c1-4-6(8)7(12)11-5(10-4)2-3-9-11/h2-3,9H,1H3
InChIKeyKTRFHNNAVMPPRU-UHFFFAOYSA-N
XLogP0.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 69004452) is 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1Cl.
What is the InChIKey of 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KTRFHNNAVMPPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-4-6(8)7(12)11-5(10-4)2-3-9-11/h2-3,9H,1H3.
What are the key properties of 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 183.60 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 69004452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).