(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate

C21H18Cl2N4O2 — CID 159407168

IUPAC(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate
SMILESCn1nc(-c2ccc(Cl)cc2Cl)cc1CC(=O)OCc1ccc2c(cnn2C)c1
InChIInChI=1S/C21H18Cl2N4O2/c1-26-16(9-19(25-26)17-5-4-15(22)8-18(17)23)10-21(28)29-12-13-3-6-20-14(7-13)11-24-27(20)2/h3-9,11H,10,12H2,1-2H3
InChIKeyLOCKRRILWMPCNM-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.57
Rot. Bonds5

About (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate

(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate (PubChem CID 159407168) has the molecular formula C21H18Cl2N4O2 and a molecular weight of 429.31 g/mol. Its IUPAC name is (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate.

Molecular Properties

Compound Name(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate
PubChem CID159407168
Molecular FormulaC21H18Cl2N4O2
Molecular Weight429.31 g/mol
Exact Mass428.08
IUPAC Name(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate
SMILESCn1nc(-c2ccc(Cl)cc2Cl)cc1CC(=O)OCc1ccc2c(cnn2C)c1
InChIInChI=1S/C21H18Cl2N4O2/c1-26-16(9-19(25-26)17-5-4-15(22)8-18(17)23)10-21(28)29-12-13-3-6-20-14(7-13)11-24-27(20)2/h3-9,11H,10,12H2,1-2H3
InChIKeyLOCKRRILWMPCNM-UHFFFAOYSA-N
XLogP4.57
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate?
The IUPAC name of (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate (CID 159407168) is (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate.
What is the SMILES notation for (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate?
The canonical SMILES for (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate is Cn1nc(-c2ccc(Cl)cc2Cl)cc1CC(=O)OCc1ccc2c(cnn2C)c1.
What is the InChIKey of (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate?
The InChIKey is LOCKRRILWMPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2/c1-26-16(9-19(25-26)17-5-4-15(22)8-18(17)23)10-21(28)29-12-13-3-6-20-14(7-13)11-24-27(20)2/h3-9,11H,10,12H2,1-2H3.
What are the key properties of (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate?
(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate has a molecular weight of 429.31 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate is sourced from PubChem (CID 159407168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).