3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine

C8H12F3N3 — CID 166178256

IUPAC3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESCC(CNCc1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6(8(9,10)11)2-12-3-7-4-13-14-5-7/h4-6,12H,2-3H2,1H3,(H,13,14)
InChIKeyPRRGODKVOIVKHQ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.70
Rot. Bonds4

About 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine

3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine (PubChem CID 166178256) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
PubChem CID166178256
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESCC(CNCc1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6(8(9,10)11)2-12-3-7-4-13-14-5-7/h4-6,12H,2-3H2,1H3,(H,13,14)
InChIKeyPRRGODKVOIVKHQ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine (CID 166178256) is 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine is CC(CNCc1cn[nH]c1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The InChIKey is PRRGODKVOIVKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6(8(9,10)11)2-12-3-7-4-13-14-5-7/h4-6,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
3,3,3-trifluoro-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.70, 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-2-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 166178256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).