2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol

C10H16N2O — CID 139502967

IUPAC2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol
SMILESCC/C=C\c1nn(CCO)cc1C
InChIInChI=1S/C10H16N2O/c1-3-4-5-10-9(2)8-12(11-10)6-7-13/h4-5,8,13H,3,6-7H2,1-2H3/b5-4-
InChIKeyRGWFSDPPRXWTPH-PLNGDYQASA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds4

About 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol

2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol (PubChem CID 139502967) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol
PubChem CID139502967
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol
SMILESCC/C=C\c1nn(CCO)cc1C
InChIInChI=1S/C10H16N2O/c1-3-4-5-10-9(2)8-12(11-10)6-7-13/h4-5,8,13H,3,6-7H2,1-2H3/b5-4-
InChIKeyRGWFSDPPRXWTPH-PLNGDYQASA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol (CID 139502967) is 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol is CC/C=C\c1nn(CCO)cc1C.
What is the InChIKey of 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol?
The InChIKey is RGWFSDPPRXWTPH-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-4-5-10-9(2)8-12(11-10)6-7-13/h4-5,8,13H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol?
2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol has a molecular weight of 180.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-but-1-enyl]-4-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 139502967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).