(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol

C11H13BrN2O2 — CID 106859237

IUPAC(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccoc1Br
InChIInChI=1S/C11H13BrN2O2/c1-2-6-14-9(3-5-13-14)10(15)8-4-7-16-11(8)12/h3-5,7,10,15H,2,6H2,1H3
InChIKeyMVYHTDCDIJRRPW-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.73
Rot. Bonds4

About (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol

(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 106859237) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID106859237
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccoc1Br
InChIInChI=1S/C11H13BrN2O2/c1-2-6-14-9(3-5-13-14)10(15)8-4-7-16-11(8)12/h3-5,7,10,15H,2,6H2,1H3
InChIKeyMVYHTDCDIJRRPW-UHFFFAOYSA-N
XLogP2.73
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 66156283
2-[hydroxy-(2-propylpyrazol-3-yl)methyl]furan-3-carboxylic acid
CID 107432647
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63977386
(2-propoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 114557016
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
isoquinolin-4-yl-(2-propylpyrazol-3-yl)methanol
CID 104504645
(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975892
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol (CID 106859237) is (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is MVYHTDCDIJRRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-2-6-14-9(3-5-13-14)10(15)8-4-7-16-11(8)12/h3-5,7,10,15H,2,6H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol?
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 285.14 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 106859237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).