trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride

C7H9ClN2O2 — CID 155970605

IUPACtrans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@H]1c1cn[nH]c1
InChIInChI=1S/C7H8N2O2.ClH/c10-7(11)6-1-5(6)4-2-8-9-3-4;/h2-3,5-6H,1H2,(H,8,9)(H,10,11);1H/t5-,6+;/m0./s1
InChIKeyBMPYAUIXLVHLHJ-RIHPBJNCSA-N
MW188.61 g/mol
LogP1.02
Rot. Bonds2

About trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride

trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 155970605) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID155970605
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Nametrans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@H]1c1cn[nH]c1
InChIInChI=1S/C7H8N2O2.ClH/c10-7(11)6-1-5(6)4-2-8-9-3-4;/h2-3,5-6H,1H2,(H,8,9)(H,10,11);1H/t5-,6+;/m0./s1
InChIKeyBMPYAUIXLVHLHJ-RIHPBJNCSA-N
XLogP1.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-Pyrazol-4-yl)propanoic acid
CID 22405807
3-(1H-pyrazol-4-yl)propanoic acid hydrochloride
CID 121553154
1-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid hydrochloride
CID 165926059
(3R)-3-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)hexanoic acid
CID 165404941
(3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405158
cis-methyl (1R,2R)-1-amino-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylate
CID 129418635
4,4,4-trifluoro-3-(1H-pyrazol-4-yl)butanoic acid
CID 83389141
3-fluoro-3-(1H-pyrazol-4-yl)butanoic acid
CID 83816348
3-(5-fluoro-1H-pyrazol-4-yl)propanoic acid
CID 115012338
rac-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CID 155970606
4,4-difluoro-3-(1H-pyrazol-4-yl)butanoic acid
CID 165673873
3,3-difluoro-3-(1H-pyrazol-4-yl)propanoic acid
CID 165713882

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride (CID 155970605) is trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@H]1c1cn[nH]c1.
What is the InChIKey of trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is BMPYAUIXLVHLHJ-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c10-7(11)6-1-5(6)4-2-8-9-3-4;/h2-3,5-6H,1H2,(H,8,9)(H,10,11);1H/t5-,6+;/m0./s1.
What are the key properties of trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride?
trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155970605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).