3-cyclopropyl-1-methylpyrazole-5-carboxylic acid

C8H10N2O2 — CID 3159656

IUPAC3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(C2CC2)cc1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-10-7(8(11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWAVQQDWWBUEGMB-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.00
Rot. Bonds2

About 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid

3-cyclopropyl-1-methylpyrazole-5-carboxylic acid (PubChem CID 3159656) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
PubChem CID3159656
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-cyclopropyl-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(C2CC2)cc1C(=O)O
InChIInChI=1S/C8H10N2O2/c1-10-7(8(11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyWAVQQDWWBUEGMB-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid (CID 3159656) is 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid is Cn1nc(C2CC2)cc1C(=O)O.
What is the InChIKey of 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid?
The InChIKey is WAVQQDWWBUEGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-7(8(11)12)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid?
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 3159656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).