trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid

C8H10N2O2 — CID 129321797

IUPACtrans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1ccc([C@@H]2C[C@H]2C(=O)O)n1
InChIInChI=1S/C8H10N2O2/c1-10-3-2-7(9-10)5-4-6(5)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)/t5-,6-/m1/s1
InChIKeyRGWHFGCVORFMCD-PHDIDXHHSA-N
MW166.18 g/mol
LogP0.61
Rot. Bonds2

About trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 129321797) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID129321797
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nametrans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCn1ccc([C@@H]2C[C@H]2C(=O)O)n1
InChIInChI=1S/C8H10N2O2/c1-10-3-2-7(9-10)5-4-6(5)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)/t5-,6-/m1/s1
InChIKeyRGWHFGCVORFMCD-PHDIDXHHSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid (CID 129321797) is trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid is Cn1ccc([C@@H]2C[C@H]2C(=O)O)n1.
What is the InChIKey of trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is RGWHFGCVORFMCD-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-3-2-7(9-10)5-4-6(5)8(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129321797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).