(3R)-3-(4-bromopyrazol-1-yl)butan-1-ol

C7H11BrN2O — CID 165127226

IUPAC(3R)-3-(4-bromopyrazol-1-yl)butan-1-ol
SMILESC[C@H](CCO)n1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-6(2-3-11)10-5-7(8)4-9-10/h4-6,11H,2-3H2,1H3/t6-/m1/s1
InChIKeyXMSXPLSPVNCVSR-ZCFIWIBFSA-N
MW219.08 g/mol
LogP1.59
Rot. Bonds3

About (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol

(3R)-3-(4-bromopyrazol-1-yl)butan-1-ol (PubChem CID 165127226) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(4-bromopyrazol-1-yl)butan-1-ol
PubChem CID165127226
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name(3R)-3-(4-bromopyrazol-1-yl)butan-1-ol
SMILESC[C@H](CCO)n1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-6(2-3-11)10-5-7(8)4-9-10/h4-6,11H,2-3H2,1H3/t6-/m1/s1
InChIKeyXMSXPLSPVNCVSR-ZCFIWIBFSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-[(2S)-butan-2-yl]pyrazole
CID 51892128
4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62442513
4-bromo-1-(2,4-dimethylpentan-3-yl)pyrazole
CID 130119514
(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol
CID 155904902
3-(4-bromopyrazol-1-yl)-2-methylbutan-2-ol
CID 146597430
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
4-bromo-1-[4-[3-[(4-methoxyphenyl)methoxy]butoxy]butan-2-yl]pyrazole
CID 174204872
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
4-(4-methylpyrazol-1-yl)pentanoic acid
CID 62213453
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
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CID 64705445

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol?
The IUPAC name of (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol (CID 165127226) is (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol.
What is the SMILES notation for (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol?
The canonical SMILES for (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol is C[C@H](CCO)n1cc(Br)cn1.
What is the InChIKey of (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol?
The InChIKey is XMSXPLSPVNCVSR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-6(2-3-11)10-5-7(8)4-9-10/h4-6,11H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol?
(3R)-3-(4-bromopyrazol-1-yl)butan-1-ol has a molecular weight of 219.08 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromopyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 165127226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).