2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C9H15F2N3 — CID 78958688

IUPAC2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCC(F)F
InChIInChI=1S/C9H15F2N3/c1-6-8(4-12-5-9(10)11)7(2)14(3)13-6/h9,12H,4-5H2,1-3H3
InChIKeyPPZGYKKYSNSZMT-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.39
Rot. Bonds4

About 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 78958688) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID78958688
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNCC(F)F
InChIInChI=1S/C9H15F2N3/c1-6-8(4-12-5-9(10)11)7(2)14(3)13-6/h9,12H,4-5H2,1-3H3
InChIKeyPPZGYKKYSNSZMT-UHFFFAOYSA-N
XLogP1.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
1-(2,4-difluorophenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethanol
CID 112727185
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 61013259
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
2-phenyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 79231907
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 78958688) is 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)c(C)c1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is PPZGYKKYSNSZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-6-8(4-12-5-9(10)11)7(2)14(3)13-6/h9,12H,4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 203.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 78958688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).