1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol

C19H19ClN2O3 — CID 50908377

IUPAC1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cc(CO)n(CC(O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-17-8-4-13(5-9-17)18-10-16(12-23)22(21-18)11-19(24)14-2-6-15(20)7-3-14/h2-10,19,23-24H,11-12H2,1H3
InChIKeyPNYNRTUKRHEABY-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol

1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol (PubChem CID 50908377) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
PubChem CID50908377
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
SMILESCOc1ccc(-c2cc(CO)n(CC(O)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-17-8-4-13(5-9-17)18-10-16(12-23)22(21-18)11-19(24)14-2-6-15(20)7-3-14/h2-10,19,23-24H,11-12H2,1H3
InChIKeyPNYNRTUKRHEABY-UHFFFAOYSA-N
XLogP3.44
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
CID 14497430
5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2S,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 73294550
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 90040082
5-(4-chlorophenyl)-3-[(2S,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 90200902
3-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol
CID 15453873
2-[3,4-bis(4-methoxyphenyl)-1H-pyrazol-1-yl]-1-ethanol
CID 1480554
ethyl 1-[(2E)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylate
CID 49862832
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-phenylpyrazol-1-yl]ethanol
CID 50908375
1-(4-Chlorophenyl)-2-[3-(4-chlorophenyl)-5-(hydroxymethyl)pyrazol-1-yl]ethanol
CID 50908376
2-(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(4-pentoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 56965178

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol (CID 50908377) is 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol is COc1ccc(-c2cc(CO)n(CC(O)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol?
The InChIKey is PNYNRTUKRHEABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-25-17-8-4-13(5-9-17)18-10-16(12-23)22(21-18)11-19(24)14-2-6-15(20)7-3-14/h2-10,19,23-24H,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol?
1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol has a molecular weight of 358.83 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 50908377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).