6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H21ClN4O2 — CID 6619197

IUPAC6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C(=O)N3CCCCC3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O2/c1-13-16(11-14-5-7-15(21)8-6-14)20(27)25-18(23-13)17(12-22-25)19(26)24-9-3-2-4-10-24/h5-8,12,22H,2-4,9-11H2,1H3
InChIKeyAMOJPICXLIYRLB-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.20
Rot. Bonds3

About 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 6619197) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID6619197
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C(=O)N3CCCCC3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O2/c1-13-16(11-14-5-7-15(21)8-6-14)20(27)25-18(23-13)17(12-22-25)19(26)24-9-3-2-4-10-24/h5-8,12,22H,2-4,9-11H2,1H3
InChIKeyAMOJPICXLIYRLB-UHFFFAOYSA-N
XLogP3.20
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one 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

5-methyl-6-[(4-methylphenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 3422239
6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155406797
6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15999038
6-[(4-chlorophenyl)methyl]-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273286
6-[(4-chlorophenyl)methyl]-5-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273473
6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82273441
6-[(4-fluorophenyl)methyl]-5-methyl-N-(2-morpholin-4-ylethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15996161
[6-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 3400698
3-bromo-6-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273508
ethyl 6-benzyl-5-chloro-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 54768557
6-[(4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82273430
[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 4108578

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 6619197) is 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C(=O)N3CCCCC3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AMOJPICXLIYRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-13-16(11-14-5-7-15(21)8-6-14)20(27)25-18(23-13)17(12-22-25)19(26)24-9-3-2-4-10-24/h5-8,12,22H,2-4,9-11H2,1H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 384.87 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-5-methyl-3-(piperidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 6619197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).