1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine

C12H20F3N3 — CID 116534110

IUPAC1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)CCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-8(6-5-7-12(13,14)15)16-11-9(2)17-18(4)10(11)3/h8,16H,5-7H2,1-4H3
InChIKeyAHESMVNMPFVNAV-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.57
Rot. Bonds5

About 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine

1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine (PubChem CID 116534110) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine
PubChem CID116534110
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC(C)CCCC(F)(F)F
InChIInChI=1S/C12H20F3N3/c1-8(6-5-7-12(13,14)15)16-11-9(2)17-18(4)10(11)3/h8,16H,5-7H2,1-4H3
InChIKeyAHESMVNMPFVNAV-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine (CID 116534110) is 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine is Cc1nn(C)c(C)c1NC(C)CCCC(F)(F)F.
What is the InChIKey of 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine?
The InChIKey is AHESMVNMPFVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-8(6-5-7-12(13,14)15)16-11-9(2)17-18(4)10(11)3/h8,16H,5-7H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine?
1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine has a molecular weight of 263.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 116534110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).