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

C19H18F3N5O — CID 58926856

IUPACN-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)13-4-3-5-14(12-13)26-8-10-27(11-9-26)18(28)23-17-15-6-1-2-7-16(15)24-25-17/h1-7,12H,8-11H2,(H2,23,24,25,28)
InChIKeyVXXMNLTWOPJPGA-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.94
Rot. Bonds2

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

N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 58926856) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID58926856
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)13-4-3-5-14(12-13)26-8-10-27(11-9-26)18(28)23-17-15-6-1-2-7-16(15)24-25-17/h1-7,12H,8-11H2,(H2,23,24,25,28)
InChIKeyVXXMNLTWOPJPGA-UHFFFAOYSA-N
XLogP3.94
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Linifanib
CID 11485656
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11154134
1-(4-(3-amino-7-((4-methylpiperazin-1-yl)methyl)-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11178869
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-phenylurea
CID 11244819
1-(4-(3-amino-7-fluoro-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11245809
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-ethylphenyl)urea
CID 11268741
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11314310
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-cyclopentylurea
CID 11404903
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 11407736
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluorophenyl)urea
CID 11417108
N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N''-(3-fluorophenyl)-urea
CID 11428396
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(4-fluorophenyl)urea
CID 11473904

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 58926856) is N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is VXXMNLTWOPJPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)13-4-3-5-14(12-13)26-8-10-27(11-9-26)18(28)23-17-15-6-1-2-7-16(15)24-25-17/h1-7,12H,8-11H2,(H2,23,24,25,28).
What are the key properties of N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 58926856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).