[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate

C19H17F4N5O2 — CID 118555428

IUPAC[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c2ccccc12)ON1CCN(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F4N5O2/c20-13-9-12(19(21,22)23)10-14(11-13)27-5-7-28(8-6-27)30-18(29)24-17-15-3-1-2-4-16(15)25-26-17/h1-4,9-11H,5-8H2,(H2,24,25,26,29)
InChIKeyHBPTYVXQWFDQBO-UHFFFAOYSA-N
MW423.37 g/mol
LogP4.01
Rot. Bonds3

About [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate

[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate (PubChem CID 118555428) has the molecular formula C19H17F4N5O2 and a molecular weight of 423.37 g/mol. Its IUPAC name is [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate.

Molecular Properties

Compound Name[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate
PubChem CID118555428
Molecular FormulaC19H17F4N5O2
Molecular Weight423.37 g/mol
Exact Mass423.13
IUPAC Name[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c2ccccc12)ON1CCN(c2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H17F4N5O2/c20-13-9-12(19(21,22)23)10-14(11-13)27-5-7-28(8-6-27)30-18(29)24-17-15-3-1-2-4-16(15)25-26-17/h1-4,9-11H,5-8H2,(H2,24,25,26,29)
InChIKeyHBPTYVXQWFDQBO-UHFFFAOYSA-N
XLogP4.01
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11281628
4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(1H-indazol-3-yl)piperazine-1-carboxamide
CID 11304338
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl) N-(1H-indazol-3-yl)carbamate
CID 118555430
[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl] N-(1H-indazol-3-yl)carbamate
CID 118555436
(5-oxo-1,2,4,6-tetrahydrobenzo[f][2,7]naphthyridin-3-yl) N-(1H-indazol-3-yl)carbamate
CID 118555459
N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 155963071
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl) N-(1H-indazol-3-yl)carbamate
CID 118555379
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indazol-3-yl)ethanone
CID 170857791
3-(4-fluorophenyl)-3-hydroxy-N-(1H-indazol-3-yl)pyrrolidine-1-carboxamide
CID 58926880
N-(1H-indazol-3-yl)prop-2-enamide
CID 62686025
2-cyclopentyl-N-(1H-indazol-3-yl)acetamide
CID 55023308

Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate?
The IUPAC name of [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate (CID 118555428) is [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate.
What is the SMILES notation for [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate?
The canonical SMILES for [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate is O=C(Nc1n[nH]c2ccccc12)ON1CCN(c2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate?
The InChIKey is HBPTYVXQWFDQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O2/c20-13-9-12(19(21,22)23)10-14(11-13)27-5-7-28(8-6-27)30-18(29)24-17-15-3-1-2-4-16(15)25-26-17/h1-4,9-11H,5-8H2,(H2,24,25,26,29).
What are the key properties of [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate?
[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate has a molecular weight of 423.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl] N-(1H-indazol-3-yl)carbamate is sourced from PubChem (CID 118555428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).