1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

C12H20F3N3 — CID 79964065

IUPAC1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cnn(CC)c1
InChIInChI=1S/C12H20F3N3/c1-3-7-16-11(5-6-12(13,14)15)10-8-17-18(4-2)9-10/h8-9,11,16H,3-7H2,1-2H3
InChIKeyMTLFLVFBNWEZQW-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.29
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 79964065) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID79964065
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cnn(CC)c1
InChIInChI=1S/C12H20F3N3/c1-3-7-16-11(5-6-12(13,14)15)10-8-17-18(4-2)9-10/h8-9,11,16H,3-7H2,1-2H3
InChIKeyMTLFLVFBNWEZQW-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135434
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
N-[1-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66065121
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
CID 115816351
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 79964065) is 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is MTLFLVFBNWEZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-3-7-16-11(5-6-12(13,14)15)10-8-17-18(4-2)9-10/h8-9,11,16H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 79964065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).