3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid

C15H16N2O4 — CID 117465686

IUPAC3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)[nH]n2)cc1OCC1CC1
InChIInChI=1S/C15H16N2O4/c1-20-13-5-4-10(6-14(13)21-8-9-2-3-9)11-7-12(15(18)19)17-16-11/h4-7,9H,2-3,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPEJMNRCZHXGPKL-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.57
Rot. Bonds6

About 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid

3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 117465686) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
PubChem CID117465686
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)[nH]n2)cc1OCC1CC1
InChIInChI=1S/C15H16N2O4/c1-20-13-5-4-10(6-14(13)21-8-9-2-3-9)11-7-12(15(18)19)17-16-11/h4-7,9H,2-3,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyPEJMNRCZHXGPKL-UHFFFAOYSA-N
XLogP2.57
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169402338
3-[3-(fluoromethyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117378384
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
1-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354559
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848755
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
CID 122067233
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492307
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 120819018
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117472618

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid (CID 117465686) is 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid is COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1OCC1CC1.
What is the InChIKey of 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is PEJMNRCZHXGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-5-4-10(6-14(13)21-8-9-2-3-9)11-7-12(15(18)19)17-16-11/h4-7,9H,2-3,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid?
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117465686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).