1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone

C18H19N3O — CID 158588228

IUPAC1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESCCCc1cc(C(C)=O)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C18H19N3O/c1-4-8-15-11-16(13(3)22)19-18-17(12(2)20-21(15)18)14-9-6-5-7-10-14/h5-7,9-11H,4,8H2,1-3H3
InChIKeyHUCIFWVZQBOWMM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone

1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (PubChem CID 158588228) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
PubChem CID158588228
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESCCCc1cc(C(C)=O)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C18H19N3O/c1-4-8-15-11-16(13(3)22)19-18-17(12(2)20-21(15)18)14-9-6-5-7-10-14/h5-7,9-11H,4,8H2,1-3H3
InChIKeyHUCIFWVZQBOWMM-UHFFFAOYSA-N
XLogP3.86
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone 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

3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481122
3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481079
ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137481252
3-(2,6-dimethylphenyl)-2,7-dipropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481196
1-[3-(3-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 160810234
4-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-oxobutanoic acid
CID 167337516
ethyl 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877153
3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine
CID 137480985
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079767
6-chloro-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822384
5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916230

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (CID 158588228) is 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is CCCc1cc(C(C)=O)nc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The InChIKey is HUCIFWVZQBOWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-8-15-11-16(13(3)22)19-18-17(12(2)20-21(15)18)14-9-6-5-7-10-14/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone has a molecular weight of 293.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is sourced from PubChem (CID 158588228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).