4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine

C10H16F3N3 — CID 79952578

IUPAC4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
SMILESCCCn1nccc1C(N)CCC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-2-7-16-9(4-6-15-16)8(14)3-5-10(11,12)13/h4,6,8H,2-3,5,7,14H2,1H3
InChIKeyIUSHVJNIBNVGLH-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.64
Rot. Bonds5

About 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine

4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine (PubChem CID 79952578) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
PubChem CID79952578
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
SMILESCCCn1nccc1C(N)CCC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-2-7-16-9(4-6-15-16)8(14)3-5-10(11,12)13/h4,6,8H,2-3,5,7,14H2,1H3
InChIKeyIUSHVJNIBNVGLH-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
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
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696
(2-propylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148214
[3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312805
[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151691
methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
CID 104939468
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine (CID 79952578) is 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine is CCCn1nccc1C(N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine?
The InChIKey is IUSHVJNIBNVGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-2-7-16-9(4-6-15-16)8(14)3-5-10(11,12)13/h4,6,8H,2-3,5,7,14H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine?
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 79952578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).