6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine

C10H16F3N3 — CID 103011400

IUPAC6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCn1cc(CCC(N)CCC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3/c1-16-7-8(6-15-16)2-3-9(14)4-5-10(11,12)13/h6-7,9H,2-5,14H2,1H3
InChIKeyIZCROYPDCBVMPM-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.02
Rot. Bonds5

About 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine

6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine (PubChem CID 103011400) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine
PubChem CID103011400
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCn1cc(CCC(N)CCC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3/c1-16-7-8(6-15-16)2-3-9(14)4-5-10(11,12)13/h6-7,9H,2-5,14H2,1H3
InChIKeyIZCROYPDCBVMPM-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25248267
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CID 63085164
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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 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine (CID 103011400) is 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine is Cn1cc(CCC(N)CCC(F)(F)F)cn1.
What is the InChIKey of 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The InChIKey is IZCROYPDCBVMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-16-7-8(6-15-16)2-3-9(14)4-5-10(11,12)13/h6-7,9H,2-5,14H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine?
6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine has a molecular weight of 235.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-amine is sourced from PubChem (CID 103011400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).