(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C14H11N3O — CID 118679660

IUPAC(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCc1ccccc1C(=O)c1cc2ncccn2n1
InChIInChI=1S/C14H11N3O/c1-10-5-2-3-6-11(10)14(18)12-9-13-15-7-4-8-17(13)16-12/h2-9H,1H3
InChIKeyXCWRKNVJVXKEIG-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.27
Rot. Bonds2

About (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 118679660) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID118679660
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESCc1ccccc1C(=O)c1cc2ncccn2n1
InChIInChI=1S/C14H11N3O/c1-10-5-2-3-6-11(10)14(18)12-9-13-15-7-4-8-17(13)16-12/h2-9H,1H3
InChIKeyXCWRKNVJVXKEIG-UHFFFAOYSA-N
XLogP2.27
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ocinaplon
CID 216456
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
7-(5-Methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455577
CU-CPT-8m
CID 15042086
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1474430
7-[5-Methyl-2-(1-pyrrolyl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455585
7-[5-Methyl-2-(triazol-1-yl)imidazo[1,5-b]pyridazin-7-yl]-1-phenyl-heptan-1-one
CID 455588
7-[2-(5-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455591
7-[2-(4-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455592
7-[2-(2-Methylimidazol-1-yl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455593

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 118679660) is (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is Cc1ccccc1C(=O)c1cc2ncccn2n1.
What is the InChIKey of (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is XCWRKNVJVXKEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-5-2-3-6-11(10)14(18)12-9-13-15-7-4-8-17(13)16-12/h2-9H,1H3.
What are the key properties of (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
(2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 237.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 118679660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).