4-(2-phenylethoxy)-1H-pyrazole

C11H12N2O — CID 138985948

IUPAC4-(2-phenylethoxy)-1H-pyrazole
SMILESc1ccc(CCOc2cn[nH]c2)cc1
InChIInChI=1S/C11H12N2O/c1-2-4-10(5-3-1)6-7-14-11-8-12-13-9-11/h1-5,8-9H,6-7H2,(H,12,13)
InChIKeyFHTMPEUHKWIXDU-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.03
Rot. Bonds4

About 4-(2-phenylethoxy)-1H-pyrazole

4-(2-phenylethoxy)-1H-pyrazole (PubChem CID 138985948) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(2-phenylethoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-phenylethoxy)-1H-pyrazole
PubChem CID138985948
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(2-phenylethoxy)-1H-pyrazole
SMILESc1ccc(CCOc2cn[nH]c2)cc1
InChIInChI=1S/C11H12N2O/c1-2-4-10(5-3-1)6-7-14-11-8-12-13-9-11/h1-5,8-9H,6-7H2,(H,12,13)
InChIKeyFHTMPEUHKWIXDU-UHFFFAOYSA-N
XLogP2.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-phenylethoxy)-1H-pyrazole 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

benzyl 2-(1H-pyrazol-4-yloxy)acetate
CID 154815213
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
2-tert-butyl-5-(2-phenylethoxy)pyridine
CID 20709511
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-methyl-4-(2-phenylethoxy)benzene;dihydrochloride
CID 174678575
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1-(bromomethyl)-4-(2-phenoxyethyl)benzene
CID 174666948
3,8-bis(2-phenylethoxy)quinoline
CID 100915268
dimethyl-[3-(2-phenylethoxy)phenyl]borane;methane
CID 158698082
bis[4-(2-phenoxyethyl)phenyl]iodanium
CID 178069647
CID 58731637
CID 58731637

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)-1H-pyrazole?
The IUPAC name of 4-(2-phenylethoxy)-1H-pyrazole (CID 138985948) is 4-(2-phenylethoxy)-1H-pyrazole.
What is the SMILES notation for 4-(2-phenylethoxy)-1H-pyrazole?
The canonical SMILES for 4-(2-phenylethoxy)-1H-pyrazole is c1ccc(CCOc2cn[nH]c2)cc1.
What is the InChIKey of 4-(2-phenylethoxy)-1H-pyrazole?
The InChIKey is FHTMPEUHKWIXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-4-10(5-3-1)6-7-14-11-8-12-13-9-11/h1-5,8-9H,6-7H2,(H,12,13).
What are the key properties of 4-(2-phenylethoxy)-1H-pyrazole?
4-(2-phenylethoxy)-1H-pyrazole has a molecular weight of 188.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)-1H-pyrazole is sourced from PubChem (CID 138985948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).