1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol

C13H22N2O — CID 82697298

IUPAC1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol
SMILESCCc1nn(CC2CC2)c(CC)c1C(C)O
InChIInChI=1S/C13H22N2O/c1-4-11-13(9(3)16)12(5-2)15(14-11)8-10-6-7-10/h9-10,16H,4-8H2,1-3H3
InChIKeyMCANQGYIFSIFPZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.47
Rot. Bonds5

About 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol

1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol (PubChem CID 82697298) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol
PubChem CID82697298
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol
SMILESCCc1nn(CC2CC2)c(CC)c1C(C)O
InChIInChI=1S/C13H22N2O/c1-4-11-13(9(3)16)12(5-2)15(14-11)8-10-6-7-10/h9-10,16H,4-8H2,1-3H3
InChIKeyMCANQGYIFSIFPZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol (CID 82697298) is 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol is CCc1nn(CC2CC2)c(CC)c1C(C)O.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol?
The InChIKey is MCANQGYIFSIFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-11-13(9(3)16)12(5-2)15(14-11)8-10-6-7-10/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol?
1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 82697298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).