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

C7H8N2O2 — CID 91618696

IUPAC1-pyrazol-1-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CC1
InChIInChI=1S/C7H8N2O2/c10-6(11)7(2-3-7)9-5-1-4-8-9/h1,4-5H,2-3H2,(H,10,11)
InChIKeyCCYSKSRSPSFWNP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.46
Rot. Bonds2

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

1-pyrazol-1-ylcyclopropane-1-carboxylic acid (PubChem CID 91618696) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-pyrazol-1-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-pyrazol-1-ylcyclopropane-1-carboxylic acid
PubChem CID91618696
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-pyrazol-1-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CC1
InChIInChI=1S/C7H8N2O2/c10-6(11)7(2-3-7)9-5-1-4-8-9/h1,4-5H,2-3H2,(H,10,11)
InChIKeyCCYSKSRSPSFWNP-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazol-1-ylacetic acid
CID 3717462
Pyrazole-1-butyric acid
CID 3066548
3-(1H-pyrazol-1-yl)propanoic acid
CID 1092972
3-(1H-Pyrazol-1-yl)butanoic acid
CID 3159310
2-methyl-3-(1H-pyrazol-1-yl)propanoic acid
CID 6483897
2-(1H-Pyrazol-1-yl)propanoic acid
CID 16793133
1-(4-chloro-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853053
alpha,alpha-Dimethyl-1H-pyrazole-1-acetic acid
CID 2763345
2-fluoro-2-(1H-pyrazol-1-yl)acetic acid
CID 81298696
1-(5-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853669
1-(3-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853986
1-(1H-pyrazol-1-yl)cyclobutane-1-carboxylic acid
CID 89854299

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-pyrazol-1-ylcyclopropane-1-carboxylic acid (CID 91618696) is 1-pyrazol-1-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-pyrazol-1-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-pyrazol-1-ylcyclopropane-1-carboxylic acid is O=C(O)C1(n2cccn2)CC1.
What is the InChIKey of 1-pyrazol-1-ylcyclopropane-1-carboxylic acid?
The InChIKey is CCYSKSRSPSFWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6(11)7(2-3-7)9-5-1-4-8-9/h1,4-5H,2-3H2,(H,10,11).
What are the key properties of 1-pyrazol-1-ylcyclopropane-1-carboxylic acid?
1-pyrazol-1-ylcyclopropane-1-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 91618696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).