6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H19ClN4O2 — CID 5051675

IUPAC6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN4O2/c1-12-14(10-13-6-2-3-7-16(13)20)19(26)24-17(22-12)15(11-21-24)18(25)23-8-4-5-9-23/h2-3,6-7,11,21H,4-5,8-10H2,1H3
InChIKeyZMLFSCZSAYRFHY-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.81
Rot. Bonds3

About 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 5051675) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID5051675
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccccc1Cl
InChIInChI=1S/C19H19ClN4O2/c1-12-14(10-13-6-2-3-7-16(13)20)19(26)24-17(22-12)15(11-21-24)18(25)23-8-4-5-9-23/h2-3,6-7,11,21H,4-5,8-10H2,1H3
InChIKeyZMLFSCZSAYRFHY-UHFFFAOYSA-N
XLogP2.81
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-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

Cambridge id 5677894
CID 867913
3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-9-one
CID 650677
6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4062440
N-benzyl-6-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4526204
N-benzyl-6-[(4-chlorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15988878
6-[(2-Chloro-4-fluorophenyl)methyl]-7-hydroxy-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 15988881
6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester
CID 3237493
6-chloro-N-[2-(2-chlorophenyl)ethyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5130856
6-benzyl-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 4620559
6-chloro-N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5130855
N-[2-(4-Chlorophenyl)ethyl]-6-[(4-chlorophenyl)methyl]-7-hydroxy-5-methylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 15988860
N-[(2-Chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-7-hydroxy-5-methylpyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 15988879

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 5051675) is 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C(=O)N3CCCC3)c[nH]n2c(=O)c1Cc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZMLFSCZSAYRFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-14(10-13-6-2-3-7-16(13)20)19(26)24-17(22-12)15(11-21-24)18(25)23-8-4-5-9-23/h2-3,6-7,11,21H,4-5,8-10H2,1H3.
What are the key properties of 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 370.84 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 5051675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).