(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine

C9H14F3N3 — CID 104941104

IUPAC(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1[C@@H](N)CC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-5-15-8(3-4-14-15)7(13)6-9(10,11)12/h3-4,7H,2,5-6,13H2,1H3/t7-/m0/s1
InChIKeyQBPXAZIUOMOTIZ-ZETCQYMHSA-N
MW221.23 g/mol
LogP2.25
Rot. Bonds4

About (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine

(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine (PubChem CID 104941104) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
PubChem CID104941104
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1[C@@H](N)CC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-2-5-15-8(3-4-14-15)7(13)6-9(10,11)12/h3-4,7H,2,5-6,13H2,1H3/t7-/m0/s1
InChIKeyQBPXAZIUOMOTIZ-ZETCQYMHSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
2-(3,5-difluorophenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63977023
[3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312805
methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
CID 104939468
(2-propylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148214
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 115857532

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine (CID 104941104) is (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine is CCCn1nccc1[C@@H](N)CC(F)(F)F.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine?
The InChIKey is QBPXAZIUOMOTIZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-5-15-8(3-4-14-15)7(13)6-9(10,11)12/h3-4,7H,2,5-6,13H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 2.25, 4 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-(2-propylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 104941104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).