(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone — IUPAC name, SMILES, InChIKey & properties

Name: (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone

(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (PubChem CID 159082520) has the molecular formula C93H73Cl3N10O8 and a molecular weight of 1565.03 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

Molecular Properties

Compound Name	(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
PubChem CID	159082520
Molecular Formula	C93H73Cl3N10O8
Molecular Weight	1565.03 g/mol
Exact Mass	1562.47
IUPAC Name	(2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone
SMILES	COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1
InChI	InChI=1S/C20H18N2O3.C19H16N2O2.3C18H13ClN2O/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;19-16-8-4-7-15(13-16)18(22)21-12-11-17(20-21)10-9-14-5-2-1-3-6-14;19-16-9-7-15(8-10-16)18(22)21-13-12-17(20-21)11-6-14-4-2-1-3-5-14/h3-14H,1-2H3;2-14H,1H3;3*1-13H/b9-8+;10-7+;11-10+;10-9+;11-6+
InChIKey	KBANPOXULYVQFY-HBRJJERDSA-N
XLogP	20.70
TPSA	202.14 Å²
H-Bond Donors
H-Bond Acceptors	18
Rotatable Bonds	18
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1565.03
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Analyze (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The IUPAC name of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone (CID 159082520) is (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone.

What is the SMILES notation for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The canonical SMILES for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)c(OC)c1.COc1ccc(C(=O)n2ccc(/C=C/c3ccccc3)n2)cc1.O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1cccc(Cl)c1)n1ccc(/C=C/c2ccccc2)n1.O=C(c1ccccc1Cl)n1ccc(/C=C/c2ccccc2)n1.

What is the InChIKey of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

The InChIKey is KBANPOXULYVQFY-HBRJJERDSA-N. The full InChI is InChI=1S/C20H18N2O3.C19H16N2O2.3C18H13ClN2O/c1-24-17-10-11-18(19(14-17)25-2)20(23)22-13-12-16(21-22)9-8-15-6-4-3-5-7-15;1-23-18-11-8-16(9-12-18)19(22)21-14-13-17(20-21)10-7-15-5-3-2-4-6-15;19-17-9-5-4-8-16(17)18(22)21-13-12-15(20-21)11-10-14-6-2-1-3-7-14;19-16-8-4-7-15(13-16)18(22)21-12-11-17(20-21)10-9-14-5-2-1-3-6-14;19-16-9-7-15(8-10-16)18(22)21-13-12-17(20-21)11-6-14-4-2-1-3-5-14/h3-14H,1-2H3;2-14H,1H3;3*1-13H/b9-8+;10-7+;11-10+;10-9+;11-6+.

What are the key properties of (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone?

Where does this data come from?

All data for (2-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(3-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-chlorophenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(2,4-dimethoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone;(4-methoxyphenyl)-[3-[(E)-2-phenylethenyl]pyrazol-1-yl]methanone is sourced from PubChem (CID 159082520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).