2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid

C17H17Cl2N3O2 — CID 146291773

IUPAC2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid
SMILESO=C(O)NCC=C1CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C17H17Cl2N3O2/c18-14-5-4-13(15(19)8-14)10-22-16-11(6-7-20-17(23)24)2-1-3-12(16)9-21-22/h4-6,8-9,20H,1-3,7,10H2,(H,23,24)
InChIKeyGGVDUBJPPJRQCJ-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.23
Rot. Bonds4

About 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid

2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid (PubChem CID 146291773) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid
PubChem CID146291773
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid
SMILESO=C(O)NCC=C1CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C17H17Cl2N3O2/c18-14-5-4-13(15(19)8-14)10-22-16-11(6-7-20-17(23)24)2-1-3-12(16)9-21-22/h4-6,8-9,20H,1-3,7,10H2,(H,23,24)
InChIKeyGGVDUBJPPJRQCJ-UHFFFAOYSA-N
XLogP4.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine
CID 146291809
1-[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]urea
CID 146291789
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine
CID 146293880
[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate
CID 146293670
ethyl (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-4,5-dihydrocyclopenta[d]pyrazol-6-ylidene]acetate
CID 153388169
(3E)-N-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]propanamide
CID 146293836
(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine
CID 146291586
1-(4-chlorophenyl)sulfonyl-3-[2-[1-(2-methylpropyl)-5,6-dihydro-4H-indazol-7-ylidene]ethyl]urea
CID 166708665
1-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea
CID 146291544
(3Z)-3-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N-(4,5-dichlorothiophen-2-yl)sulfanyl-3-fluoropropanamide
CID 146293788
(4-chlorophenyl)sulfonylcarbamoyl N-(4-chlorophenyl)sulfonyl-N-[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-4,5-dihydrocyclopenta[d]pyrazol-6-ylidene]ethyl]carbamate
CID 146291614
1-[2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]-3-(1,5-dimethylpyrazol-4-yl)sulfonylurea
CID 162461281

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid?
The IUPAC name of 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid (CID 146291773) is 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid?
The canonical SMILES for 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid is O=C(O)NCC=C1CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21.
What is the InChIKey of 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid?
The InChIKey is GGVDUBJPPJRQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-14-5-4-13(15(19)8-14)10-22-16-11(6-7-20-17(23)24)2-1-3-12(16)9-21-22/h4-6,8-9,20H,1-3,7,10H2,(H,23,24).
What are the key properties of 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid?
2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid has a molecular weight of 366.25 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid is sourced from PubChem (CID 146291773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).