7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C15H15N3O2 — CID 135671376

IUPAC7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1ccc(C2=CCNc3c(C(=O)O)cnn32)cc1
InChIInChI=1S/C15H15N3O2/c1-2-10-3-5-11(6-4-10)13-7-8-16-14-12(15(19)20)9-17-18(13)14/h3-7,9,16H,2,8H2,1H3,(H,19,20)
InChIKeyGRWGXTBWVUKTGS-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.46
Rot. Bonds3

About 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 135671376) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID135671376
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1ccc(C2=CCNc3c(C(=O)O)cnn32)cc1
InChIInChI=1S/C15H15N3O2/c1-2-10-3-5-11(6-4-10)13-7-8-16-14-12(15(19)20)9-17-18(13)14/h3-7,9,16H,2,8H2,1H3,(H,19,20)
InChIKeyGRWGXTBWVUKTGS-UHFFFAOYSA-N
XLogP2.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic 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

1-(4-ethylphenyl)-5-pentan-3-ylpyrazole-4-carboxylic acid
CID 82361350
5-chlorosulfonyl-1-(4-ethylphenyl)pyrazole-4-carboxylic acid
CID 165485639
N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138014016
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
1-[4-(carboxymethyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 82361094
1-cyclopropyl-5-(4-ethylphenyl)-2-methylpyrrole-3-carboxylic acid
CID 82092874
1-(5-ethyl-6-methyl-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid
CID 86692420
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
1-(4-ethylphenyl)pyrazole-4-carboxylic acid
CID 82365536
1-ethyl-5-(4-ethylphenyl)pyrazole-3-carboxylic acid
CID 45037411
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
4-(4-ethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 117001369

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 135671376) is 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCc1ccc(C2=CCNc3c(C(=O)O)cnn32)cc1.
What is the InChIKey of 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is GRWGXTBWVUKTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-10-3-5-11(6-4-10)13-7-8-16-14-12(15(19)20)9-17-18(13)14/h3-7,9,16H,2,8H2,1H3,(H,19,20).
What are the key properties of 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylphenyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 135671376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).