2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide

C20H26ClN3O2 — CID 139008177

IUPAC2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)NC1CCCc2cn(C(C)C)nc21
InChIInChI=1S/C20H26ClN3O2/c1-4-26-20-14(7-5-9-16(20)21)11-18(25)22-17-10-6-8-15-12-24(13(2)3)23-19(15)17/h5,7,9,12-13,17H,4,6,8,10-11H2,1-3H3,(H,22,25)
InChIKeyDGBSKNVCOWQPLC-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.25
Rot. Bonds6

About 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide

2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide (PubChem CID 139008177) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
PubChem CID139008177
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)NC1CCCc2cn(C(C)C)nc21
InChIInChI=1S/C20H26ClN3O2/c1-4-26-20-14(7-5-9-16(20)21)11-18(25)22-17-10-6-8-15-12-24(13(2)3)23-19(15)17/h5,7,9,12-13,17H,4,6,8,10-11H2,1-3H3,(H,22,25)
InChIKeyDGBSKNVCOWQPLC-UHFFFAOYSA-N
XLogP4.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 75484165
2-(furan-2-yl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139001083
1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea
CID 166205955
N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 97346848
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]propanamide
CID 97346838
2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
CID 91662652
2-(3-chloro-2-ethoxyphenyl)acetic acid
CID 75525846
N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide
CID 97347028
N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide
CID 75484173
N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide
CID 97346880
2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide
CID 97346993
4-[[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]benzonitrile
CID 75484159

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide?
The IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide (CID 139008177) is 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide?
The canonical SMILES for 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide is CCOc1c(Cl)cccc1CC(=O)NC1CCCc2cn(C(C)C)nc21.
What is the InChIKey of 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide?
The InChIKey is DGBSKNVCOWQPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-4-26-20-14(7-5-9-16(20)21)11-18(25)22-17-10-6-8-15-12-24(13(2)3)23-19(15)17/h5,7,9,12-13,17H,4,6,8,10-11H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide?
2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide has a molecular weight of 375.90 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide is sourced from PubChem (CID 139008177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).