4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide

C19H17F4N5O — CID 11304338

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F4N5O/c20-15-6-5-12(11-14(15)19(21,22)23)27-7-9-28(10-8-27)18(29)24-17-13-3-1-2-4-16(13)25-26-17/h1-6,11H,7-10H2,(H2,24,25,26,29)
InChIKeyFKGZDLPCJUTLRW-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.07
Rot. Bonds2

About 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide

4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide (PubChem CID 11304338) has the molecular formula C19H17F4N5O and a molecular weight of 407.37 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide
PubChem CID11304338
Molecular FormulaC19H17F4N5O
Molecular Weight407.37 g/mol
Exact Mass407.14
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F4N5O/c20-15-6-5-12(11-14(15)19(21,22)23)27-7-9-28(10-8-27)18(29)24-17-13-3-1-2-4-16(13)25-26-17/h1-6,11H,7-10H2,(H2,24,25,26,29)
InChIKeyFKGZDLPCJUTLRW-UHFFFAOYSA-N
XLogP4.07
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(1H-indazol-3-yl)-4-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11441481
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11281628
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide
CID 58926880
4-(2,5-dichlorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11338671
[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate
CID 118555428
4-(3,4-dichlorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11774091
4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11337695
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90772263
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide (CID 11304338) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The InChIKey is FKGZDLPCJUTLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O/c20-15-6-5-12(11-14(15)19(21,22)23)27-7-9-28(10-8-27)18(29)24-17-13-3-1-2-4-16(13)25-26-17/h1-6,11H,7-10H2,(H2,24,25,26,29).
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide has a molecular weight of 407.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11304338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).