N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

C19H14F3N5O2 — CID 156575109

IUPACN-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2cccc3cn[nH]c23)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H14F3N5O2/c20-19(21,22)29-16-7-2-1-5-14(16)18(28)23-10-12-8-15(26-25-12)13-6-3-4-11-9-24-27-17(11)13/h1-9H,10H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyJYPKRXPSWMCFLL-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.78
Rot. Bonds5

About N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 156575109) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
PubChem CID156575109
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC NameN-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cc(-c2cccc3cn[nH]c23)n[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C19H14F3N5O2/c20-19(21,22)29-16-7-2-1-5-14(16)18(28)23-10-12-8-15(26-25-12)13-6-3-4-11-9-24-27-17(11)13/h1-9H,10H2,(H,23,28)(H,24,27)(H,25,26)
InChIKeyJYPKRXPSWMCFLL-UHFFFAOYSA-N
XLogP3.78
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 156575109) is N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is O=C(NCc1cc(-c2cccc3cn[nH]c23)n[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is JYPKRXPSWMCFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c20-19(21,22)29-16-7-2-1-5-14(16)18(28)23-10-12-8-15(26-25-12)13-6-3-4-11-9-24-27-17(11)13/h1-9H,10H2,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?
N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 401.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 156575109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).