4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole

C21H26N2O2 — CID 162357904

IUPAC4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole
SMILESC=Cc1cnn(CCc2ccc(OC3CCCCO3)cc2)c1/C=C\C
InChIInChI=1S/C21H26N2O2/c1-3-7-20-18(4-2)16-22-23(20)14-13-17-9-11-19(12-10-17)25-21-8-5-6-15-24-21/h3-4,7,9-12,16,21H,2,5-6,8,13-15H2,1H3/b7-3-
InChIKeyOYPHIHFUJRGFCF-CLTKARDFSA-N
MW338.45 g/mol
LogP4.71
Rot. Bonds7

About 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole

4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole (PubChem CID 162357904) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole.

Molecular Properties

Compound Name4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole
PubChem CID162357904
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole
SMILESC=Cc1cnn(CCc2ccc(OC3CCCCO3)cc2)c1/C=C\C
InChIInChI=1S/C21H26N2O2/c1-3-7-20-18(4-2)16-22-23(20)14-13-17-9-11-19(12-10-17)25-21-8-5-6-15-24-21/h3-4,7,9-12,16,21H,2,5-6,8,13-15H2,1H3/b7-3-
InChIKeyOYPHIHFUJRGFCF-CLTKARDFSA-N
XLogP4.71
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
CID 171418961
2-[4-(nitrosomethyl)phenoxy]oxane
CID 91171401
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
CID 19421220
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
2-(4-ethenylphenoxy)oxane;styrene
CID 161099420
CID 168763543
CID 168763543
2-(2-ethenylphenoxy)oxecane
CID 139905565
2-[4-[4-[4-(2-ethoxyethoxy)butyl]phenyl]phenoxy]oxane
CID 139657244
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
2-(2-ethenyl-5-ethylphenoxy)oxolane
CID 139905495

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole?
The IUPAC name of 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole (CID 162357904) is 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole.
What is the SMILES notation for 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole?
The canonical SMILES for 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole is C=Cc1cnn(CCc2ccc(OC3CCCCO3)cc2)c1/C=C\C.
What is the InChIKey of 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole?
The InChIKey is OYPHIHFUJRGFCF-CLTKARDFSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-7-20-18(4-2)16-22-23(20)14-13-17-9-11-19(12-10-17)25-21-8-5-6-15-24-21/h3-4,7,9-12,16,21H,2,5-6,8,13-15H2,1H3/b7-3-.
What are the key properties of 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole?
4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole has a molecular weight of 338.45 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[2-[4-(oxan-2-yloxy)phenyl]ethyl]-5-[(Z)-prop-1-enyl]pyrazole is sourced from PubChem (CID 162357904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).