3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C8H12F3N3 — CID 63226414

IUPAC3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]ncc1CNCCC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6-7(5-13-14-6)4-12-3-2-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)
InChIKeyZQBSLTATQPOMNV-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.76
Rot. Bonds4

About 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 63226414) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID63226414
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1[nH]ncc1CNCCC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6-7(5-13-14-6)4-12-3-2-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)
InChIKeyZQBSLTATQPOMNV-UHFFFAOYSA-N
XLogP1.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 115491490
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923072
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 103622795
2,3,3-trimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 78966816
N,N-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 60925704
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl carbamate
CID 83210014
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43663684
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461
2-(3-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 55062757

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 63226414) is 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1[nH]ncc1CNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZQBSLTATQPOMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6-7(5-13-14-6)4-12-3-2-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 63226414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).