4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid

C17H20N2O4 — CID 117232657

IUPAC4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
SMILESCOc1ccccc1Cn1ncc(OC2CCCC2)c1C(=O)O
InChIInChI=1S/C17H20N2O4/c1-22-14-9-5-2-6-12(14)11-19-16(17(20)21)15(10-18-19)23-13-7-3-4-8-13/h2,5-6,9-10,13H,3-4,7-8,11H2,1H3,(H,20,21)
InChIKeyGHGYDDGXPYFKCI-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.96
Rot. Bonds6

About 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid

4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid (PubChem CID 117232657) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
PubChem CID117232657
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
SMILESCOc1ccccc1Cn1ncc(OC2CCCC2)c1C(=O)O
InChIInChI=1S/C17H20N2O4/c1-22-14-9-5-2-6-12(14)11-19-16(17(20)21)15(10-18-19)23-13-7-3-4-8-13/h2,5-6,9-10,13H,3-4,7-8,11H2,1H3,(H,20,21)
InChIKeyGHGYDDGXPYFKCI-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232672
4-cyclopentyloxy-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232718
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232626
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 117232013
2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042861
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493
1-cyclohexyl-4-cyclohexyloxypyrazole-5-carboxylic acid
CID 117233178
cis-(1S,3R)-3-methoxy-N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexane-1-carboxamide
CID 124819312
N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide
CID 92602078
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid (CID 117232657) is 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid is COc1ccccc1Cn1ncc(OC2CCCC2)c1C(=O)O.
What is the InChIKey of 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?
The InChIKey is GHGYDDGXPYFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-14-9-5-2-6-12(14)11-19-16(17(20)21)15(10-18-19)23-13-7-3-4-8-13/h2,5-6,9-10,13H,3-4,7-8,11H2,1H3,(H,20,21).
What are the key properties of 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?
4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).