3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

C18H18ClN3O2 — CID 71563426

IUPAC3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCc1nc2c(-c3ccccc3Cl)c(C)nn2c(C)c1CCC(=O)O
InChIInChI=1S/C18H18ClN3O2/c1-10-13(8-9-16(23)24)12(3)22-18(20-10)17(11(2)21-22)14-6-4-5-7-15(14)19/h4-7H,8-9H2,1-3H3,(H,23,24)
InChIKeyWYPHGYTTYMRKAO-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.99
Rot. Bonds4

About 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (PubChem CID 71563426) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
PubChem CID71563426
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCc1nc2c(-c3ccccc3Cl)c(C)nn2c(C)c1CCC(=O)O
InChIInChI=1S/C18H18ClN3O2/c1-10-13(8-9-16(23)24)12(3)22-18(20-10)17(11(2)21-22)14-6-4-5-7-15(14)19/h4-7H,8-9H2,1-3H3,(H,23,24)
InChIKeyWYPHGYTTYMRKAO-UHFFFAOYSA-N
XLogP3.99
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid 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-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481079
methyl 2-[3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzoate
CID 20863327
7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4908382
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
N-(1-thiophen-2-ylethyl)-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863355
3-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]propanoic acid
CID 119351132
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-piperidin-1-ylpropan-1-one
CID 20863056
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125
3-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 20863045
N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603853
5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 104621709

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The IUPAC name of 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CID 71563426) is 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is Cc1nc2c(-c3ccccc3Cl)c(C)nn2c(C)c1CCC(=O)O.
What is the InChIKey of 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The InChIKey is WYPHGYTTYMRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-10-13(8-9-16(23)24)12(3)22-18(20-10)17(11(2)21-22)14-6-4-5-7-15(14)19/h4-7H,8-9H2,1-3H3,(H,23,24).
What are the key properties of 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid has a molecular weight of 343.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid is sourced from PubChem (CID 71563426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).