(1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine

C7H10F3N3 — CID 28975172

IUPAC(1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc([C@@H](N)CC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3/c1-13-4-5(3-12-13)6(11)2-7(8,9)10/h3-4,6H,2,11H2,1H3/t6-/m0/s1
InChIKeyHOPPSXNVBIPBIG-LURJTMIESA-N
MW193.17 g/mol
LogP1.37
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine

(1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 28975172) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID28975172
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name(1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc([C@@H](N)CC(F)(F)F)cn1
InChIInChI=1S/C7H10F3N3/c1-13-4-5(3-12-13)6(11)2-7(8,9)10/h3-4,6H,2,11H2,1H3/t6-/m0/s1
InChIKeyHOPPSXNVBIPBIG-LURJTMIESA-N
XLogP1.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
1-(1-methyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 43519509
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
rac-((1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanamine dihydrochloride
CID 129841821
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-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005857
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

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 28975172) is (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc([C@@H](N)CC(F)(F)F)cn1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is HOPPSXNVBIPBIG-LURJTMIESA-N. The full InChI is InChI=1S/C7H10F3N3/c1-13-4-5(3-12-13)6(11)2-7(8,9)10/h3-4,6H,2,11H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 193.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 28975172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).