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

C7H8N2O2 — CID 155970606

IUPACtrans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cn[nH]c1
InChIInChI=1S/C7H8N2O2/c10-7(11)6-1-5(6)4-2-8-9-3-4/h2-3,5-6H,1H2,(H,8,9)(H,10,11)/t5-,6+/m0/s1
InChIKeyRPYKPGOQIFEWNB-NTSWFWBYSA-N
MW152.15 g/mol
LogP0.60
Rot. Bonds2

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

trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 155970606) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
PubChem CID155970606
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Nametrans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cn[nH]c1
InChIInChI=1S/C7H8N2O2/c10-7(11)6-1-5(6)4-2-8-9-3-4/h2-3,5-6H,1H2,(H,8,9)(H,10,11)/t5-,6+/m0/s1
InChIKeyRPYKPGOQIFEWNB-NTSWFWBYSA-N
XLogP0.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid (CID 155970606) is trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid is 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?
The InChIKey is RPYKPGOQIFEWNB-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)6-1-5(6)4-2-8-9-3-4/h2-3,5-6H,1H2,(H,8,9)(H,10,11)/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.60, 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 is sourced from PubChem (CID 155970606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).