trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid

C8H10N2O2 — CID 51888174

IUPACtrans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCn1cc([C@@H]2C[C@H]2C(=O)O)cn1
InChIInChI=1S/C8H10N2O2/c1-10-4-5(3-9-10)6-2-7(6)8(11)12/h3-4,6-7H,2H2,1H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyBLAROOKLCXZXMV-NKWVEPMBSA-N
MW166.18 g/mol
LogP0.61
Rot. Bonds2

About trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 51888174) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID51888174
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Nametrans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESCn1cc([C@@H]2C[C@H]2C(=O)O)cn1
InChIInChI=1S/C8H10N2O2/c1-10-4-5(3-9-10)6-2-7(6)8(11)12/h3-4,6-7H,2H2,1H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyBLAROOKLCXZXMV-NKWVEPMBSA-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-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid (CID 51888174) is trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid is Cn1cc([C@@H]2C[C@H]2C(=O)O)cn1.
What is the InChIKey of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is BLAROOKLCXZXMV-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-4-5(3-9-10)6-2-7(6)8(11)12/h3-4,6-7H,2H2,1H3,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(1-methylpyrazol-4-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-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51888174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).