cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid

C8H9ClN2O2 — CID 167767992

IUPACcis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1Cn1cc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c9-6-2-10-11(4-6)3-5-1-7(5)8(12)13/h2,4-5,7H,1,3H2,(H,12,13)/t5-,7+/m0/s1
InChIKeyCGFIANADUIUZJZ-CAHLUQPWSA-N
MW200.62 g/mol
LogP1.26
Rot. Bonds3

About cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 167767992) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID167767992
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Namecis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1Cn1cc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c9-6-2-10-11(4-6)3-5-1-7(5)8(12)13/h2,4-5,7H,1,3H2,(H,12,13)/t5-,7+/m0/s1
InChIKeyCGFIANADUIUZJZ-CAHLUQPWSA-N
XLogP1.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid (CID 167767992) is cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1Cn1cc(Cl)cn1.
What is the InChIKey of cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CGFIANADUIUZJZ-CAHLUQPWSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-2-10-11(4-6)3-5-1-7(5)8(12)13/h2,4-5,7H,1,3H2,(H,12,13)/t5-,7+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 200.62 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(4-chloropyrazol-1-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167767992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).