N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine

C11H18F3N3 — CID 113334932

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCCn1nccc1CNCCCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-2-17-10(5-8-16-17)9-15-7-4-3-6-11(12,13)14/h5,8,15H,2-4,6-7,9H2,1H3
InChIKeyDVWCWFBUTCJVKN-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.73
Rot. Bonds7

About N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 113334932) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
PubChem CID113334932
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCCn1nccc1CNCCCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-2-17-10(5-8-16-17)9-15-7-4-3-6-11(12,13)14/h5,8,15H,2-4,6-7,9H2,1H3
InChIKeyDVWCWFBUTCJVKN-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990
N-[(2-ethylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923234
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529672
N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115761556
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-ethylpyrazol-3-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115761423
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
2-[2-[(2-ethylpyrazol-3-yl)methylamino]ethoxy]ethanol
CID 75525234
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine (CID 113334932) is N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine is CCn1nccc1CNCCCCC(F)(F)F.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is DVWCWFBUTCJVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-2-17-10(5-8-16-17)9-15-7-4-3-6-11(12,13)14/h5,8,15H,2-4,6-7,9H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 113334932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).