4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide

C21H18ClF3N6O — CID 158878354

IUPAC4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1C(F)(F)F
InChIInChI=1S/C21H18ClF3N6O/c1-3-26-20(32)13-6-4-12(8-15(13)21(23,24)25)19-28-17(31(2)30-19)9-11-5-7-16-14(18(11)22)10-27-29-16/h4-8,10H,3,9H2,1-2H3,(H,26,32)(H,27,29)
InChIKeyJCSLSCQNPBBDLN-UHFFFAOYSA-N
MW462.86 g/mol
LogP4.37
Rot. Bonds5

About 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide

4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide (PubChem CID 158878354) has the molecular formula C21H18ClF3N6O and a molecular weight of 462.86 g/mol. Its IUPAC name is 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide
PubChem CID158878354
Molecular FormulaC21H18ClF3N6O
Molecular Weight462.86 g/mol
Exact Mass462.12
IUPAC Name4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1C(F)(F)F
InChIInChI=1S/C21H18ClF3N6O/c1-3-26-20(32)13-6-4-12(8-15(13)21(23,24)25)19-28-17(31(2)30-19)9-11-5-7-16-14(18(11)22)10-27-29-16/h4-8,10H,3,9H2,1-2H3,(H,26,32)(H,27,29)
InChIKeyJCSLSCQNPBBDLN-UHFFFAOYSA-N
XLogP4.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]-2-(trifluoromethyl)benzamide
CID 159186677
4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide
CID 160952338
4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 158284983
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide
CID 153329047
6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 158262601
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-pyrrolidin-3-ylacetamide
CID 159331905
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide
CID 167579526
N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide
CID 160645823
N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
CID 139365795
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(3-hydroxycyclobutyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(2-hydroxycyclohexyl)acetamide
CID 159288701
2-methoxy-4-[1-methyl-5-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 159487947
N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide
CID 161082442

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide (CID 158878354) is 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide is CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1C(F)(F)F.
What is the InChIKey of 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide?
The InChIKey is JCSLSCQNPBBDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N6O/c1-3-26-20(32)13-6-4-12(8-15(13)21(23,24)25)19-28-17(31(2)30-19)9-11-5-7-16-14(18(11)22)10-27-29-16/h4-8,10H,3,9H2,1-2H3,(H,26,32)(H,27,29).
What are the key properties of 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide?
4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide has a molecular weight of 462.86 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 158878354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).