N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine

C11H18F3N3 — CID 122168571

IUPACN-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C11H18F3N3/c1-3-4-5-6-15-8-9-7-10(11(12,13)14)17(2)16-9/h7,15H,3-6,8H2,1-2H3
InChIKeyIPGOYESWIGANDL-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine

N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine (PubChem CID 122168571) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine
PubChem CID122168571
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC NameN-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C11H18F3N3/c1-3-4-5-6-15-8-9-7-10(11(12,13)14)17(2)16-9/h7,15H,3-6,8H2,1-2H3
InChIKeyIPGOYESWIGANDL-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.72
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

N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine;hydrochloride
CID 126964251
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126968345
1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine
CID 19626309
N-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-amine
CID 105477120
N-[(1-ethylpyrazol-3-yl)methyl]pentan-1-amine;hydrochloride
CID 126968027
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine
CID 19625434
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628686
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
1-heptyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139675123

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine (CID 122168571) is N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine is CCCCCNCc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine?
The InChIKey is IPGOYESWIGANDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-3-4-5-6-15-8-9-7-10(11(12,13)14)17(2)16-9/h7,15H,3-6,8H2,1-2H3.
What are the key properties of N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine?
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine is sourced from PubChem (CID 122168571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).