4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine

C14H17F3N4 — CID 143919060

IUPAC4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine
SMILESCCC1=C(Nc2cc(C)[nH]n2)C(C(F)(F)F)=CN=C(C)C1
InChIInChI=1S/C14H17F3N4/c1-4-10-5-8(2)18-7-11(14(15,16)17)13(10)19-12-6-9(3)20-21-12/h6-7H,4-5H2,1-3H3,(H2,19,20,21)
InChIKeyNYHSGIJKIDHCSB-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.10
Rot. Bonds3

About 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine

4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine (PubChem CID 143919060) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine
PubChem CID143919060
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC Name4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine
SMILESCCC1=C(Nc2cc(C)[nH]n2)C(C(F)(F)F)=CN=C(C)C1
InChIInChI=1S/C14H17F3N4/c1-4-10-5-8(2)18-7-11(14(15,16)17)13(10)19-12-6-9(3)20-21-12/h6-7H,4-5H2,1-3H3,(H2,19,20,21)
InChIKeyNYHSGIJKIDHCSB-UHFFFAOYSA-N
XLogP4.10
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,4Z,6E)-4-amino-7-fluoronona-4,6,8-trien-3-yl]-1-[(1E)-2-fluoro-1-[(5-methyl-1H-pyrazol-3-yl)amino]buta-1,3-dienyl]guanidine
CID 89160492
N-tert-butyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 169840749
Butyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine
CID 56965646
N-(2-methylpropyl)-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 172417169
N'-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide
CID 68873581
(2E)-N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)penta-2,4-dienimidamide
CID 123365554
N-[(1Z,3E)-3-tert-butyl-1-(methylideneamino)penta-1,3-dienyl]-5-methyl-1H-pyrazol-3-amine
CID 126724590
5-[(Z)-4-ethenyliminobut-2-enyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]-1H-pyrazol-3-amine
CID 142092170
N',2-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide
CID 145169743
N'-methyl-2-methylidene-N-(5-methyl-1H-pyrazol-3-yl)butanimidamide;prop-1-ene
CID 145169801
5-but-1-en-2-yl-N-ethyl-1H-pyrazol-3-amine
CID 155110720
N-(3-cyclopropyl-2-ethyl-2H-pyrrol-5-yl)-5-methyl-1H-pyrazol-3-amine
CID 163777343

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine?
The IUPAC name of 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine (CID 143919060) is 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine.
What is the SMILES notation for 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine?
The canonical SMILES for 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine is CCC1=C(Nc2cc(C)[nH]n2)C(C(F)(F)F)=CN=C(C)C1.
What is the InChIKey of 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine?
The InChIKey is NYHSGIJKIDHCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c1-4-10-5-8(2)18-7-11(14(15,16)17)13(10)19-12-6-9(3)20-21-12/h6-7H,4-5H2,1-3H3,(H2,19,20,21).
What are the key properties of 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine?
4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine has a molecular weight of 298.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(trifluoromethyl)-3H-azepin-5-amine is sourced from PubChem (CID 143919060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).