3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

C25H31N5O2 — CID 92558768

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESCC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C25H31N5O2/c1-15-9-10-20(13-16(15)2)30-23-8-6-7-22(21(23)14-26-30)27-24(32)11-12-29-18(4)25(19(5)31)17(3)28-29/h9-10,13-14,22H,6-8,11-12H2,1-5H3,(H,27,32)/t22-/m1/s1
InChIKeySVTDNZIZIZQZPJ-JOCHJYFZSA-N
MW433.56 g/mol
LogP4.09
Rot. Bonds6

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide (PubChem CID 92558768) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
PubChem CID92558768
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESCC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C25H31N5O2/c1-15-9-10-20(13-16(15)2)30-23-8-6-7-22(21(23)14-26-30)27-24(32)11-12-29-18(4)25(19(5)31)17(3)28-29/h9-10,13-14,22H,6-8,11-12H2,1-5H3,(H,27,32)/t22-/m1/s1
InChIKeySVTDNZIZIZQZPJ-JOCHJYFZSA-N
XLogP4.09
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,4,4-trifluorobutanamide
CID 45211075
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 42359157
3-(benzimidazol-1-yl)-N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 42099150
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanylacetamide
CID 42355689
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenoxypropanamide
CID 42244287
3-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,1-diethylurea
CID 97123460
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopentanecarboxamide
CID 25384334
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 26320525
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 26401719
methyl 4-[[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]benzoate
CID 24793406
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 51494518
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide
CID 97134645

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide (CID 92558768) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide is CC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c1C.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The InChIKey is SVTDNZIZIZQZPJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-15-9-10-20(13-16(15)2)30-23-8-6-7-22(21(23)14-26-30)27-24(32)11-12-29-18(4)25(19(5)31)17(3)28-29/h9-10,13-14,22H,6-8,11-12H2,1-5H3,(H,27,32)/t22-/m1/s1.
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide has a molecular weight of 433.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide is sourced from PubChem (CID 92558768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).