5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid

C9H12N2O3 — CID 97180463

IUPAC5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1OCC1CC1
InChIInChI=1S/C9H12N2O3/c1-11-8(14-5-6-2-3-6)7(4-10-11)9(12)13/h4,6H,2-3,5H2,1H3,(H,12,13)
InChIKeyWCFXCYARTGXQAI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.91
Rot. Bonds4

About 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid

5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid (PubChem CID 97180463) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid
PubChem CID97180463
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1OCC1CC1
InChIInChI=1S/C9H12N2O3/c1-11-8(14-5-6-2-3-6)7(4-10-11)9(12)13/h4,6H,2-3,5H2,1H3,(H,12,13)
InChIKeyWCFXCYARTGXQAI-UHFFFAOYSA-N
XLogP0.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid (CID 97180463) is 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1OCC1CC1.
What is the InChIKey of 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is WCFXCYARTGXQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11-8(14-5-6-2-3-6)7(4-10-11)9(12)13/h4,6H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid?
5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 97180463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).