1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol

C14H17ClN2O — CID 63975033

IUPAC1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(C)(O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-3-10-17-13(8-9-16-17)14(2,18)11-6-4-5-7-12(11)15/h4-9,18H,3,10H2,1-2H3
InChIKeyRBVOZNRRPYZQFU-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol

1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol (PubChem CID 63975033) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
PubChem CID63975033
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(C)(O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-3-10-17-13(8-9-16-17)14(2,18)11-6-4-5-7-12(11)15/h4-9,18H,3,10H2,1-2H3
InChIKeyRBVOZNRRPYZQFU-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975243
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114059360
3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile
CID 115481322
2-methoxy-1-phenyl-1-(2-propylpyrazol-3-yl)ethanol
CID 103465225
1-(2-fluorophenyl)-2-(2-propylpyrazol-3-yl)propan-2-ol
CID 114832710
1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114080715
5-(4-chloro-2-methylpentan-2-yl)-1-propylpyrazole
CID 64715777
2-chloro-N-[(2-propylpyrazol-3-yl)methyl]-6-(trifluoromethyl)aniline
CID 114554917
2-(2-chlorophenyl)propan-2-ol
CID 12759846
1-(2-chlorophenyl)butane-1,1-diol
CID 150424149
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol (CID 63975033) is 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol is CCCn1nccc1C(C)(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The InChIKey is RBVOZNRRPYZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-10-17-13(8-9-16-17)14(2,18)11-6-4-5-7-12(11)15/h4-9,18H,3,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol has a molecular weight of 264.76 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol is sourced from PubChem (CID 63975033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).