N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide

C19H25N3O2 — CID 23723430

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCCc2c1cnn2-c1cccc(C)c1C
InChIInChI=1S/C19H25N3O2/c1-13-6-4-8-17(14(13)2)22-18-9-5-7-16(15(18)12-20-22)21-19(23)10-11-24-3/h4,6,8,12,16H,5,7,9-11H2,1-3H3,(H,21,23)
InChIKeyPBPYWRXTZHHMFH-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide (PubChem CID 23723430) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide
PubChem CID23723430
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCCc2c1cnn2-c1cccc(C)c1C
InChIInChI=1S/C19H25N3O2/c1-13-6-4-8-17(14(13)2)22-18-9-5-7-16(15(18)12-20-22)21-19(23)10-11-24-3/h4,6,8,12,16H,5,7,9-11H2,1-3H3,(H,21,23)
InChIKeyPBPYWRXTZHHMFH-UHFFFAOYSA-N
XLogP3.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide (CID 23723430) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide is COCCC(=O)NC1CCCc2c1cnn2-c1cccc(C)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide?
The InChIKey is PBPYWRXTZHHMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-6-4-8-17(14(13)2)22-18-9-5-7-16(15(18)12-20-22)21-19(23)10-11-24-3/h4,6,8,12,16H,5,7,9-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide has a molecular weight of 327.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 23723430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).