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

C6H8F3N3 — CID 56965660

IUPACN-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H8F3N3/c1-2-10-5-3-4(11-12-5)6(7,8)9/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyOUQVDDOWSCSPKW-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.86
Rot. Bonds2

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

N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (PubChem CID 56965660) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
PubChem CID56965660
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC NameN-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
SMILESCCNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H8F3N3/c1-2-10-5-3-4(11-12-5)6(7,8)9/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyOUQVDDOWSCSPKW-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
2-amino-N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]propanamide
CID 75449519
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide
CID 97341571
1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 62548256
N-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 54351446
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717284
3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45600694
N-ethyl-5-methyl-1H-pyrazol-3-amine
CID 45092829
2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol
CID 11687054
N,N-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 18677121
1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623304
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-5-amine
CID 25247599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine (CID 56965660) is N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is CCNc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is OUQVDDOWSCSPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-2-10-5-3-4(11-12-5)6(7,8)9/h3H,2H2,1H3,(H2,10,11,12).
What are the key properties of N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine?
N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 179.14 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 56965660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).