N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H16F3N3O — CID 55169597

IUPACN-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCn1nccc1CNCCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-16-9(3-5-15-16)7-14-4-2-6-17-8-10(11,12)13/h3,5,14H,2,4,6-8H2,1H3
InChIKeyUHSNUQIWJCSRNH-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.48
Rot. Bonds7

About N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 55169597) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID55169597
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCn1nccc1CNCCCOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-16-9(3-5-15-16)7-14-4-2-6-17-8-10(11,12)13/h3,5,14H,2,4,6-8H2,1H3
InChIKeyUHSNUQIWJCSRNH-UHFFFAOYSA-N
XLogP1.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 55169597) is N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cn1nccc1CNCCCOCC(F)(F)F.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is UHSNUQIWJCSRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-16-9(3-5-15-16)7-14-4-2-6-17-8-10(11,12)13/h3,5,14H,2,4,6-8H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 251.25 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 55169597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).