1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol

C15H19ClN2O — CID 114633383

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
SMILESCCCn1ncc(Cl)c1C(C)(O)c1cccc(C)c1
InChIInChI=1S/C15H19ClN2O/c1-4-8-18-14(13(16)10-17-18)15(3,19)12-7-5-6-11(2)9-12/h5-7,9-10,19H,4,8H2,1-3H3
InChIKeyPDYYWQJBDZXOII-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol

1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol (PubChem CID 114633383) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
PubChem CID114633383
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
SMILESCCCn1ncc(Cl)c1C(C)(O)c1cccc(C)c1
InChIInChI=1S/C15H19ClN2O/c1-4-8-18-14(13(16)10-17-18)15(3,19)12-7-5-6-11(2)9-12/h5-7,9-10,19H,4,8H2,1-3H3
InChIKeyPDYYWQJBDZXOII-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol
CID 114633436
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol
CID 114633784
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,4-dimethylphenyl)ethanol
CID 114633788
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 114637015
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol
CID 114083179
2-(4-chloro-1-propylpyrazol-5-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832778
2-(4-chloro-1-propylpyrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114665970

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol (CID 114633383) is 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol is CCCn1ncc(Cl)c1C(C)(O)c1cccc(C)c1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is PDYYWQJBDZXOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-4-8-18-14(13(16)10-17-18)15(3,19)12-7-5-6-11(2)9-12/h5-7,9-10,19H,4,8H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol?
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 278.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 114633383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).