6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine

C10H16F3N3 — CID 116534621

IUPAC6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1cn[nH]c1
InChIInChI=1S/C10H16F3N3/c1-8(3-2-4-10(11,12)13)14-5-9-6-15-16-7-9/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeyMYAQHDHFCPWANJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.62
Rot. Bonds6

About 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine

6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine (PubChem CID 116534621) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine
PubChem CID116534621
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCc1cn[nH]c1
InChIInChI=1S/C10H16F3N3/c1-8(3-2-4-10(11,12)13)14-5-9-6-15-16-7-9/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeyMYAQHDHFCPWANJ-UHFFFAOYSA-N
XLogP2.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclohexanamine
CID 68046756
2,2-Difluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 115407117
1-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)piperidine
CID 122575498
N-(1H-pyrazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54897443
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 62403357
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 62403540
N-(1H-pyrazol-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62403541
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 63086463
6-[4-(Trifluoromethyl)pyrazol-1-yl]hexan-2-amine
CID 64173949
N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-2-amine
CID 64174383
N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-2-amine
CID 64174384
N-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-2-amine
CID 64176487

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine (CID 116534621) is 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine is CC(CCCC(F)(F)F)NCc1cn[nH]c1.
What is the InChIKey of 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine?
The InChIKey is MYAQHDHFCPWANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-8(3-2-4-10(11,12)13)14-5-9-6-15-16-7-9/h6-8,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine?
6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine has a molecular weight of 235.25 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-(1H-pyrazol-4-ylmethyl)hexan-2-amine is sourced from PubChem (CID 116534621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).