5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C8H8ClN3O — CID 1485034

IUPAC5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCl)cc(=O)n2[nH]1
InChIInChI=1S/C8H8ClN3O/c1-5-2-7-10-6(4-9)3-8(13)12(7)11-5/h2-3,11H,4H2,1H3
InChIKeyJAYNBPKIWPWGQB-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.07
Rot. Bonds1

About 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1485034) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1485034
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CCl)cc(=O)n2[nH]1
InChIInChI=1S/C8H8ClN3O/c1-5-2-7-10-6(4-9)3-8(13)12(7)11-5/h2-3,11H,4H2,1H3
InChIKeyJAYNBPKIWPWGQB-UHFFFAOYSA-N
XLogP1.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 736199
6-Chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
CID 1485023
5-amino-2-methyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13396557
2-Methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 2818814
5-(chloromethyl)-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 50988917
[1,2,4]Triazolo[1,5-a]pyrimidin-7(1H)-one, 2-(chloromethyl)-5-methyl-
CID 91859
5-(Chloromethyl)-2,3-dimethylpyrazolo(1,5-a)pyrimidin-7-ol
CID 137935534
5-(difluoromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 63822088
5-(chloromethyl)-1,2-dimethylpyrazolo[1,5-a]pyrimidin-7(1H)-one
CID 45602091
2,5,6-Trimethylpyrazolo[1,5-a]pyrimidin-7-ol
CID 1485029
5-Ethyl-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17580770
5-(Chloromethyl)-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 51072188

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1485034) is 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CCl)cc(=O)n2[nH]1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JAYNBPKIWPWGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-5-2-7-10-6(4-9)3-8(13)12(7)11-5/h2-3,11H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 197.62 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1485034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).