3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine

C10H16F3N3 — CID 115727211

IUPAC3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCC(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C10H16F3N3/c1-3-9(8-6-15-16(2)7-8)14-5-4-10(11,12)13/h6-7,9,14H,3-5H2,1-2H3
InChIKeyHOKXZJLQKMTMQD-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.41
Rot. Bonds5

About 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine

3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine (PubChem CID 115727211) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
PubChem CID115727211
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCC(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C10H16F3N3/c1-3-9(8-6-15-16(2)7-8)14-5-4-10(11,12)13/h6-7,9,14H,3-5H2,1-2H3
InChIKeyHOKXZJLQKMTMQD-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
4,4,4-trifluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 81343645
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
N-tert-butylsulfanyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 170449243
3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol
CID 115920575
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine
CID 115727790

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine (CID 115727211) is 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine is CCC(NCCC(F)(F)F)c1cnn(C)c1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine?
The InChIKey is HOKXZJLQKMTMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-3-9(8-6-15-16(2)7-8)14-5-4-10(11,12)13/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine?
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 115727211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).