2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide

C18H23N3O3 — CID 94080097

IUPAC2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3C)cc1OC
InChIInChI=1S/C18H23N3O3/c1-21-15-6-4-5-14(13(15)11-19-21)20-18(22)10-12-7-8-16(23-2)17(9-12)24-3/h7-9,11,14H,4-6,10H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyMKMMSRQASDYLHO-CQSZACIVSA-N
MW329.40 g/mol
LogP2.17
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide (PubChem CID 94080097) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
PubChem CID94080097
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3C)cc1OC
InChIInChI=1S/C18H23N3O3/c1-21-15-6-4-5-14(13(15)11-19-21)20-18(22)10-12-7-8-16(23-2)17(9-12)24-3/h7-9,11,14H,4-6,10H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyMKMMSRQASDYLHO-CQSZACIVSA-N
XLogP2.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
2-(4-acetyl-2-methoxyphenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 55602008
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 42094250
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 52514919
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 56731320
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
1-[(4-methoxyphenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 38884548
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 26326251
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55602158

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide (CID 94080097) is 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide is COc1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
The InChIKey is MKMMSRQASDYLHO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21-15-6-4-5-14(13(15)11-19-21)20-18(22)10-12-7-8-16(23-2)17(9-12)24-3/h7-9,11,14H,4-6,10H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide is sourced from PubChem (CID 94080097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).