1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine

C10H16F3N3 — CID 103009517

IUPAC1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCNC(CCc1cnn(C)c1)CC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-14-9(5-10(11,12)13)4-3-8-6-15-16(2)7-8/h6-7,9,14H,3-5H2,1-2H3
InChIKeyWOXWASZGOCDDOL-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.89
Rot. Bonds5

About 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine

1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine (PubChem CID 103009517) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine
PubChem CID103009517
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCNC(CCc1cnn(C)c1)CC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-14-9(5-10(11,12)13)4-3-8-6-15-16(2)7-8/h6-7,9,14H,3-5H2,1-2H3
InChIKeyWOXWASZGOCDDOL-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
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
(1R,2S)-2-(1-Methyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 91647634
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
2,2-dimethyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 54593542
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine (CID 103009517) is 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine is CNC(CCc1cnn(C)c1)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The InChIKey is WOXWASZGOCDDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-14-9(5-10(11,12)13)4-3-8-6-15-16(2)7-8/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine?
1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine has a molecular weight of 235.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine is sourced from PubChem (CID 103009517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).