2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol

C12H16N2O2 — CID 103006623

IUPAC2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CCC(C)(O)c1ccoc1
InChIInChI=1S/C12H16N2O2/c1-12(15,10-5-8-16-9-10)6-3-11-4-7-13-14(11)2/h4-5,7-9,15H,3,6H2,1-2H3
InChIKeyLEQNDBDGZBMBFI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.85
Rot. Bonds4

About 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol

2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103006623) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID103006623
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CCC(C)(O)c1ccoc1
InChIInChI=1S/C12H16N2O2/c1-12(15,10-5-8-16-9-10)6-3-11-4-7-13-14(11)2/h4-5,7-9,15H,3,6H2,1-2H3
InChIKeyLEQNDBDGZBMBFI-UHFFFAOYSA-N
XLogP1.85
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103005777
2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
1-chloro-5-(2-methylpyrazol-3-yl)-3-phenylpentan-3-ol
CID 103006901
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103006315
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007080
5-ethylsulfonyl-2-(furan-3-yl)pentan-2-ol
CID 115467201
2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005061
5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole
CID 103018712
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol (CID 103006623) is 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol is Cn1nccc1CCC(C)(O)c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is LEQNDBDGZBMBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(15,10-5-8-16-9-10)6-3-11-4-7-13-14(11)2/h4-5,7-9,15H,3,6H2,1-2H3.
What are the key properties of 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103006623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).