2-pyrazol-1-ylcyclopropane-1-carboxylic acid

C7H8N2O2 — CID 105429677

IUPAC2-pyrazol-1-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1n1cccn1
InChIInChI=1S/C7H8N2O2/c10-7(11)5-4-6(5)9-3-1-2-8-9/h1-3,5-6H,4H2,(H,10,11)
InChIKeyHAHFSWRWHXUXCK-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.53
Rot. Bonds2

About 2-pyrazol-1-ylcyclopropane-1-carboxylic acid

2-pyrazol-1-ylcyclopropane-1-carboxylic acid (PubChem CID 105429677) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-pyrazol-1-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-pyrazol-1-ylcyclopropane-1-carboxylic acid
PubChem CID105429677
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-pyrazol-1-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1n1cccn1
InChIInChI=1S/C7H8N2O2/c10-7(11)5-4-6(5)9-3-1-2-8-9/h1-3,5-6H,4H2,(H,10,11)
InChIKeyHAHFSWRWHXUXCK-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 177148006
2-(3-pyrazol-1-ylpropylamino)cyclobutane-1-carboxylic acid
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CID 129497156
4-methyl-2-(1,2,4-triazol-1-yl)cyclohexane-1-carboxylic acid
CID 63074248
2-pyrazol-1-ylcyclopentan-1-amine
CID 16783918
(1S,2R,3R)-3-amino-2-pyrazol-1-ylcyclobutan-1-ol
CID 124887297
2-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylic acid
CID 117038247
(1S,4R,6R)-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azabicyclo[2.2.2]octane-6-carboxylic acid
CID 166304244
trans-(1S,2S)-2-pyrazol-1-ylcyclopentan-1-amine;trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-amine;dihydrochloride
CID 126854443
2-[(4-pyrazol-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977154
2-chloro-1-(3-methoxy-4-pyrazol-1-ylpyrrolidin-1-yl)ethanone
CID 121204047
1-cyclopentylpyrazole
CID 10844435

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-pyrazol-1-ylcyclopropane-1-carboxylic acid (CID 105429677) is 2-pyrazol-1-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-pyrazol-1-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-pyrazol-1-ylcyclopropane-1-carboxylic acid is O=C(O)C1CC1n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylcyclopropane-1-carboxylic acid?
The InChIKey is HAHFSWRWHXUXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)5-4-6(5)9-3-1-2-8-9/h1-3,5-6H,4H2,(H,10,11).
What are the key properties of 2-pyrazol-1-ylcyclopropane-1-carboxylic acid?
2-pyrazol-1-ylcyclopropane-1-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 105429677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).