1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid

C7H7BrN2O2 — CID 131082594

IUPAC1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(n2cc(Br)cn2)CC1
InChIInChI=1S/C7H7BrN2O2/c8-5-3-9-10(4-5)7(1-2-7)6(11)12/h3-4H,1-2H2,(H,11,12)
InChIKeyLHKYHZMGLXYIEV-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.22
Rot. Bonds2

About 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid

1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 131082594) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid
PubChem CID131082594
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(n2cc(Br)cn2)CC1
InChIInChI=1S/C7H7BrN2O2/c8-5-3-9-10(4-5)7(1-2-7)6(11)12/h3-4H,1-2H2,(H,11,12)
InChIKeyLHKYHZMGLXYIEV-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1H-pyrazol-1-yl)acetic acid
CID 17024755
Ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate
CID 59231678
1-(4-chloro-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
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3-(4-bromo-1H-pyrazol-1-yl)propanoic acid
CID 7018449
2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 7017278
2-(4-Bromo-1H-pyrazol-1-yl)propanoic acid
CID 16640640
2-(4-bromo-1H-pyrazol-1-yl)-3,3-dimethylbutanoic acid
CID 70817404
2-(4-bromo-1H-pyrazol-1-yl)-2-fluoroacetic acid
CID 81298277
1-(1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 91618696
1-(4-cyano-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 117966299
2-(4-iodo-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 137944845
[1-(4-bromo-1H-pyrazol-1-yl)cyclopropyl]methanol
CID 138039604

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid (CID 131082594) is 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(n2cc(Br)cn2)CC1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LHKYHZMGLXYIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-5-3-9-10(4-5)7(1-2-7)6(11)12/h3-4H,1-2H2,(H,11,12).
What are the key properties of 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid?
1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 231.05 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 131082594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).