4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide

C21H25N5O — CID 91832695

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCc3n[nH]c4c3CCCC4)cc2)n1
InChIInChI=1S/C21H25N5O/c1-14-13-15(2)26(25-14)17-9-7-16(8-10-17)21(27)22-12-11-20-18-5-3-4-6-19(18)23-24-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyZELDCFLPMDTWGK-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.06
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide (PubChem CID 91832695) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide
PubChem CID91832695
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCc3n[nH]c4c3CCCC4)cc2)n1
InChIInChI=1S/C21H25N5O/c1-14-13-15(2)26(25-14)17-9-7-16(8-10-17)21(27)22-12-11-20-18-5-3-4-6-19(18)23-24-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyZELDCFLPMDTWGK-UHFFFAOYSA-N
XLogP3.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide 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

4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)benzamide
CID 70717359
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
5-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
CID 91834000
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 136561565
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
4-(3,5-dimethylpyrazol-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537934
6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 166362139

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide (CID 91832695) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCCc3n[nH]c4c3CCCC4)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide?
The InChIKey is ZELDCFLPMDTWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-13-15(2)26(25-14)17-9-7-16(8-10-17)21(27)22-12-11-20-18-5-3-4-6-19(18)23-24-20/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide has a molecular weight of 363.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 91832695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).