1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol

C14H17ClN2O2 — CID 114645960

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
SMILESCCn1ncc(Cl)c1C(O)C(OC)c1ccccc1
InChIInChI=1S/C14H17ClN2O2/c1-3-17-12(11(15)9-16-17)13(18)14(19-2)10-7-5-4-6-8-10/h4-9,13-14,18H,3H2,1-2H3
InChIKeySCLQJBVXWIIMHO-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol (PubChem CID 114645960) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
PubChem CID114645960
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
SMILESCCn1ncc(Cl)c1C(O)C(OC)c1ccccc1
InChIInChI=1S/C14H17ClN2O2/c1-3-17-12(11(15)9-16-17)13(18)14(19-2)10-7-5-4-6-8-10/h4-9,13-14,18H,3H2,1-2H3
InChIKeySCLQJBVXWIIMHO-UHFFFAOYSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanamine
CID 114662146
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645963
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645968
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 114662155
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
CID 114644164
1-(4-chloro-1-ethylpyrazol-5-yl)-3-methoxybutan-1-amine
CID 114660378
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol (CID 114645960) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol is CCn1ncc(Cl)c1C(O)C(OC)c1ccccc1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
The InChIKey is SCLQJBVXWIIMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-17-12(11(15)9-16-17)13(18)14(19-2)10-7-5-4-6-8-10/h4-9,13-14,18H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol has a molecular weight of 280.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol is sourced from PubChem (CID 114645960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).