4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid

C17H20N2O3 — CID 117232718

IUPAC4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
SMILESCc1ccc(Cn2ncc(OC3CCCC3)c2C(=O)O)cc1
InChIInChI=1S/C17H20N2O3/c1-12-6-8-13(9-7-12)11-19-16(17(20)21)15(10-18-19)22-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H,20,21)
InChIKeyMAPJVUPTVJDDDK-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.26
Rot. Bonds5

About 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid

4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid (PubChem CID 117232718) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
PubChem CID117232718
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
SMILESCc1ccc(Cn2ncc(OC3CCCC3)c2C(=O)O)cc1
InChIInChI=1S/C17H20N2O3/c1-12-6-8-13(9-7-12)11-19-16(17(20)21)15(10-18-19)22-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H,20,21)
InChIKeyMAPJVUPTVJDDDK-UHFFFAOYSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 117232013
4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232690
4-cyclohexyloxy-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 117232941
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
1-(5-chlorofuran-2-yl)-4-cyclopentyloxypyrazole-5-carboxylic acid
CID 117232476
1-benzyl-4-phenoxypyrazole-5-carboxylic acid
CID 117232582
4-cyclopentyloxy-1-(3-fluorophenyl)pyrazole-5-carboxylic acid
CID 117232936
1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine
CID 117233181
5-cyclopropyl-2-fluoro-4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]oxybenzoic acid
CID 118353520
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232626

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid (CID 117232718) is 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid is Cc1ccc(Cn2ncc(OC3CCCC3)c2C(=O)O)cc1.
What is the InChIKey of 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid?
The InChIKey is MAPJVUPTVJDDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-6-8-13(9-7-12)11-19-16(17(20)21)15(10-18-19)22-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H,20,21).
What are the key properties of 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid?
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).