N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine

C6H6F3N3 — CID 138653439

IUPACN-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESC=CNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H6F3N3/c1-2-10-5-3-4(11-12-5)6(7,8)9/h2-3H,1H2,(H2,10,11,12)
InChIKeyCFDKKOFECXJANE-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.98
Rot. Bonds2

About N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine

N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 138653439) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID138653439
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC NameN-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESC=CNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H6F3N3/c1-2-10-5-3-4(11-12-5)6(7,8)9/h2-3H,1H2,(H2,10,11,12)
InChIKeyCFDKKOFECXJANE-UHFFFAOYSA-N
XLogP1.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 54351446
N-ethyl-5-methyl-1H-pyrazol-3-amine
CID 45092829
2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol
CID 11687054
Ethyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine
CID 56965660
N,N-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 18677121
N-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 56965643
[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
CID 68818176
N,N-dipropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 71062423
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]formamide
CID 124184394
[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiourea
CID 129294207
N-butyl-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanediamine
CID 129294383
N,1-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 131121157

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 138653439) is N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is C=CNc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is CFDKKOFECXJANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c1-2-10-5-3-4(11-12-5)6(7,8)9/h2-3H,1H2,(H2,10,11,12).
What are the key properties of N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 177.13 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 138653439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).