2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol

C12H22N2O — CID 63895086

IUPAC2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
SMILESCCCn1cc(C(O)C(CC)CC)cn1
InChIInChI=1S/C12H22N2O/c1-4-7-14-9-11(8-13-14)12(15)10(5-2)6-3/h8-10,12,15H,4-7H2,1-3H3
InChIKeyLZTGVXKQHGXBOX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.76
Rot. Bonds6

About 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol

2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol (PubChem CID 63895086) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
PubChem CID63895086
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
SMILESCCCn1cc(C(O)C(CC)CC)cn1
InChIInChI=1S/C12H22N2O/c1-4-7-14-9-11(8-13-14)12(15)10(5-2)6-3/h8-10,12,15H,4-7H2,1-3H3
InChIKeyLZTGVXKQHGXBOX-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636
2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 103572276
(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114023332
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol (CID 63895086) is 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol is CCCn1cc(C(O)C(CC)CC)cn1.
What is the InChIKey of 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The InChIKey is LZTGVXKQHGXBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-14-9-11(8-13-14)12(15)10(5-2)6-3/h8-10,12,15H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 63895086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).