(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole

C20H23ClN2O2 — CID 88905515

IUPAC(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole
SMILESC=C/C(OC)=c1/c(C2CCOCC2)nn(-c2ccc(Cl)cc2)/c1=C/C
InChIInChI=1S/C20H23ClN2O2/c1-4-17-19(18(5-2)24-3)20(14-10-12-25-13-11-14)22-23(17)16-8-6-15(21)7-9-16/h4-9,14H,2,10-13H2,1,3H3/b17-4+,19-18-
InChIKeyQRZVWRHBVJWPOY-PZNQDMFISA-N
MW358.87 g/mol
LogP3.16
Rot. Bonds4

About (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole

(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole (PubChem CID 88905515) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole.

Molecular Properties

Compound Name(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole
PubChem CID88905515
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole
SMILESC=C/C(OC)=c1/c(C2CCOCC2)nn(-c2ccc(Cl)cc2)/c1=C/C
InChIInChI=1S/C20H23ClN2O2/c1-4-17-19(18(5-2)24-3)20(14-10-12-25-13-11-14)22-23(17)16-8-6-15(21)7-9-16/h4-9,14H,2,10-13H2,1,3H3/b17-4+,19-18-
InChIKeyQRZVWRHBVJWPOY-PZNQDMFISA-N
XLogP3.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole?
The IUPAC name of (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole (CID 88905515) is (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole.
What is the SMILES notation for (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole?
The canonical SMILES for (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole is C=C/C(OC)=c1/c(C2CCOCC2)nn(-c2ccc(Cl)cc2)/c1=C/C.
What is the InChIKey of (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole?
The InChIKey is QRZVWRHBVJWPOY-PZNQDMFISA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-17-19(18(5-2)24-3)20(14-10-12-25-13-11-14)22-23(17)16-8-6-15(21)7-9-16/h4-9,14H,2,10-13H2,1,3H3/b17-4+,19-18-.
What are the key properties of (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole?
(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole has a molecular weight of 358.87 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-(1-methoxyprop-2-enylidene)-3-(oxan-4-yl)pyrazole is sourced from PubChem (CID 88905515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).