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

C19H25N3O — CID 23723491

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
SMILESCCCC(=O)NC1CCCc2c1cnn2-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)
InChIKeyJTVJLTLBQIZQKV-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.78
Rot. Bonds4

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

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide (PubChem CID 23723491) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
PubChem CID23723491
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
SMILESCCCC(=O)NC1CCCc2c1cnn2-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)
InChIKeyJTVJLTLBQIZQKV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide (CID 23723491) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide is CCCC(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
The InChIKey is JTVJLTLBQIZQKV-UHFFFAOYSA-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).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide?
N-[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-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide is sourced from PubChem (CID 23723491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).