1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone

C20H21N5O2 — CID 3983688

IUPAC1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc3cc(-c4ccccc4)nn3c2C)CC1
InChIInChI=1S/C20H21N5O2/c1-14-17(20(27)24-10-8-23(9-11-24)15(2)26)13-21-19-12-18(22-25(14)19)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3
InChIKeyJGICKEMQHDRBQI-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.01
Rot. Bonds2

About 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone

1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone (PubChem CID 3983688) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
PubChem CID3983688
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc3cc(-c4ccccc4)nn3c2C)CC1
InChIInChI=1S/C20H21N5O2/c1-14-17(20(27)24-10-8-23(9-11-24)15(2)26)13-21-19-12-18(22-25(14)19)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3
InChIKeyJGICKEMQHDRBQI-UHFFFAOYSA-N
XLogP2.01
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-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

N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24641599
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371064
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 4001881
(4-benzylpiperidin-1-yl)-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3947805
[4-(2-chlorophenyl)piperazin-1-yl]-[7-(methoxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 3403374
7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371069
6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174899
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 42752701

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone (CID 3983688) is 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnc3cc(-c4ccccc4)nn3c2C)CC1.
What is the InChIKey of 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is JGICKEMQHDRBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-17(20(27)24-10-8-23(9-11-24)15(2)26)13-21-19-12-18(22-25(14)19)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone?
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 363.42 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 3983688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).