2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol

C16H22N2O — CID 103572594

IUPAC2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2ccc(CC)cc2)cn1
InChIInChI=1S/C16H22N2O/c1-3-9-18-12-15(11-17-18)16(19)10-14-7-5-13(4-2)6-8-14/h5-8,11-12,16,19H,3-4,9-10H2,1-2H3
InChIKeyINLCATWUGDDSNW-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol

2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol (PubChem CID 103572594) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
PubChem CID103572594
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
SMILESCCCn1cc(C(O)Cc2ccc(CC)cc2)cn1
InChIInChI=1S/C16H22N2O/c1-3-9-18-12-15(11-17-18)16(19)10-14-7-5-13(4-2)6-8-14/h5-8,11-12,16,19H,3-4,9-10H2,1-2H3
InChIKeyINLCATWUGDDSNW-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572665
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
3-(4-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 105080738
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
2-(2-methyltetrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 107046537
2-amino-3-phenyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 103572276
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572619
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572568
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-phenylsulfanyl-1-(1-propylpyrazol-4-yl)ethanol
CID 65142294
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol (CID 103572594) is 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol is CCCn1cc(C(O)Cc2ccc(CC)cc2)cn1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol?
The InChIKey is INLCATWUGDDSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-9-18-12-15(11-17-18)16(19)10-14-7-5-13(4-2)6-8-14/h5-8,11-12,16,19H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol?
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103572594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).