(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate

C23H23ClN4O3 — CID 157263641

IUPAC(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate
SMILESCCn1nc(-c2ccc(Cl)cc2OC)cc1CC(=O)OCc1ccc2nn(C)cc2c1
InChIInChI=1S/C23H23ClN4O3/c1-4-28-18(11-21(26-28)19-7-6-17(24)10-22(19)30-3)12-23(29)31-14-15-5-8-20-16(9-15)13-27(2)25-20/h5-11,13H,4,12,14H2,1-3H3
InChIKeyAXTCAELZBHWCSS-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.40
Rot. Bonds7

About (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate

(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate (PubChem CID 157263641) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate.

Molecular Properties

Compound Name(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate
PubChem CID157263641
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate
SMILESCCn1nc(-c2ccc(Cl)cc2OC)cc1CC(=O)OCc1ccc2nn(C)cc2c1
InChIInChI=1S/C23H23ClN4O3/c1-4-28-18(11-21(26-28)19-7-6-17(24)10-22(19)30-3)12-23(29)31-14-15-5-8-20-16(9-15)13-27(2)25-20/h5-11,13H,4,12,14H2,1-3H3
InChIKeyAXTCAELZBHWCSS-UHFFFAOYSA-N
XLogP4.40
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
CID 158481307
(1-ethylbenzimidazol-5-yl)methyl 2-[1-ethyl-3-(2-methoxy-4-methylphenyl)pyrazol-5-yl]acetate
CID 158455948
ethyl 2-(2-methylindazol-5-yl)acetate
CID 155343728
(1-methylindazol-5-yl)methyl 2-[3-(2,4-dichlorophenyl)-1-methylpyrazol-5-yl]acetate
CID 159407168
(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate
CID 158918243
(1-methylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1,4-dimethylpyrazol-5-yl]acetate
CID 158690856
1-ethyl-5-(methoxymethyl)-3-(2-methoxy-4-methylphenyl)pyrazole
CID 134315657
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
CID 82445266
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 157250809
[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1,3-benzoxazol-6-yl)carbamate
CID 89459716
(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate
CID 89469732
4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 147607856

Frequently Asked Questions

What is the IUPAC name of (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate?
The IUPAC name of (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate (CID 157263641) is (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate.
What is the SMILES notation for (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate?
The canonical SMILES for (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate is CCn1nc(-c2ccc(Cl)cc2OC)cc1CC(=O)OCc1ccc2nn(C)cc2c1.
What is the InChIKey of (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate?
The InChIKey is AXTCAELZBHWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-4-28-18(11-21(26-28)19-7-6-17(24)10-22(19)30-3)12-23(29)31-14-15-5-8-20-16(9-15)13-27(2)25-20/h5-11,13H,4,12,14H2,1-3H3.
What are the key properties of (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate?
(2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate has a molecular weight of 438.92 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-ethylpyrazol-5-yl]acetate is sourced from PubChem (CID 157263641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).