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

C19H25N3O — CID 42359157

IUPACN-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1
InChIInChI=1S/C19H25N3O/c1-4-6-19(23)21-17-7-5-8-18-16(17)12-20-22(18)15-10-9-13(2)14(3)11-15/h9-12,17H,4-8H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyJTVJLTLBQIZQKV-QGZVFWFLSA-N
MW311.43 g/mol
LogP3.78
Rot. Bonds4

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

N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide (PubChem CID 42359157) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide.

Molecular Properties

Compound NameN-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
PubChem CID42359157
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
SMILESCCCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1
InChIInChI=1S/C19H25N3O/c1-4-6-19(23)21-17-7-5-8-18-16(17)12-20-22(18)15-10-9-13(2)14(3)11-15/h9-12,17H,4-8H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyJTVJLTLBQIZQKV-QGZVFWFLSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,4,4-trifluorobutanamide
CID 45211075
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
3-(benzimidazol-1-yl)-N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 42099150
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 92558768
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-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-hydroxypyridine-2-carboxamide
CID 97134645
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97145523

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The IUPAC name of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide (CID 42359157) is N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide.
What is the SMILES notation for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The canonical SMILES for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide is CCCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1.
What is the InChIKey of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The InChIKey is JTVJLTLBQIZQKV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-6-19(23)21-17-7-5-8-18-16(17)12-20-22(18)15-10-9-13(2)14(3)11-15/h9-12,17H,4-8H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide is sourced from PubChem (CID 42359157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).