N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide

C17H16F3N7O2 — CID 86892302

IUPACN'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)c1cn[nH]n1
InChIInChI=1S/C17H16F3N7O2/c1-9-13(7-15(28)23-24-16(29)14-8-21-26-22-14)10(2)27(25-9)12-5-3-4-11(6-12)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,23,28)(H,24,29)(H,21,22,26)
InChIKeyDNONPNWQVZAQNM-UHFFFAOYSA-N
MW407.36 g/mol
LogP1.63
Rot. Bonds4

About N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide

N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide (PubChem CID 86892302) has the molecular formula C17H16F3N7O2 and a molecular weight of 407.36 g/mol. Its IUPAC name is N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide
PubChem CID86892302
Molecular FormulaC17H16F3N7O2
Molecular Weight407.36 g/mol
Exact Mass407.13
IUPAC NameN'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)c1cn[nH]n1
InChIInChI=1S/C17H16F3N7O2/c1-9-13(7-15(28)23-24-16(29)14-8-21-26-22-14)10(2)27(25-9)12-5-3-4-11(6-12)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,23,28)(H,24,29)(H,21,22,26)
InChIKeyDNONPNWQVZAQNM-UHFFFAOYSA-N
XLogP1.63
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide 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-chloro-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]benzohydrazide
CID 55702587
2-(4-chlorophenyl)-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]acetohydrazide
CID 55702683
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 78884584
N-(3-anilinopropyl)-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 56586408
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 55759911
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 47047946
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55702716
[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 39369333
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 78883964
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 167844133
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 55757369
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 55807038

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide?
The IUPAC name of N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide (CID 86892302) is N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide?
The canonical SMILES for N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide is Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NNC(=O)c1cn[nH]n1.
What is the InChIKey of N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide?
The InChIKey is DNONPNWQVZAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O2/c1-9-13(7-15(28)23-24-16(29)14-8-21-26-22-14)10(2)27(25-9)12-5-3-4-11(6-12)17(18,19)20/h3-6,8H,7H2,1-2H3,(H,23,28)(H,24,29)(H,21,22,26).
What are the key properties of N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide?
N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide has a molecular weight of 407.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]-2H-triazole-4-carbohydrazide is sourced from PubChem (CID 86892302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).