5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid

C14H14N2O3 — CID 143452151

IUPAC5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1ccccc1OC1CC1
InChIInChI=1S/C14H14N2O3/c1-16-13(11(8-15-16)14(17)18)10-4-2-3-5-12(10)19-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyQPCVDPVGLJCTKR-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.33
Rot. Bonds4

About 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid

5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 143452151) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID143452151
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1ccccc1OC1CC1
InChIInChI=1S/C14H14N2O3/c1-16-13(11(8-15-16)14(17)18)10-4-2-3-5-12(10)19-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyQPCVDPVGLJCTKR-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid (CID 143452151) is 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1-c1ccccc1OC1CC1.
What is the InChIKey of 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is QPCVDPVGLJCTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16-13(11(8-15-16)14(17)18)10-4-2-3-5-12(10)19-9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid?
5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyloxyphenyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 143452151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).