3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C10H16F3N3 — CID 43497339

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

About 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 43497339) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID43497339
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C10H16F3N3/c1-3-4-14-9(5-10(11,12)13)8-6-15-16(2)7-8/h6-7,9,14H,3-5H2,1-2H3
InChIKeyFNMGPOVVTHRJTB-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-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
rac-(1R,2S)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride
CID 91647633
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 43497339) is 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1cnn(C)c1.
What is the InChIKey of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is FNMGPOVVTHRJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-3-4-14-9(5-10(11,12)13)8-6-15-16(2)7-8/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-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-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 43497339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).