2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

C13H22F3N3 — CID 79621609

IUPAC2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCC(C)CNCC(C)(C)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H22F3N3/c1-10(2)5-17-8-12(3,4)9-19-7-11(6-18-19)13(14,15)16/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyDNOVKFYUQSUDRW-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.17
Rot. Bonds6

About 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine

2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (PubChem CID 79621609) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
PubChem CID79621609
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
SMILESCC(C)CNCC(C)(C)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C13H22F3N3/c1-10(2)5-17-8-12(3,4)9-19-7-11(6-18-19)13(14,15)16/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyDNOVKFYUQSUDRW-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2-methylpropyl)-3-(4-phenylpyrazol-1-yl)propan-1-amine
CID 79619961
2-(1-ethylpyrazol-4-yl)-1-(2-methylpropylamino)propan-2-ol
CID 66036811
2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114490708
3-indazol-1-yl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79619528
3-(1-ethylpyrazol-4-yl)-3-fluorobutan-2-amine
CID 130574621
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 115475769
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 63025477
1-pentyl-4-(trifluoromethyl)pyrazole
CID 173052071
2,2-dimethyl-3-(4-phenylpyrazol-1-yl)-N-propylpropan-1-amine
CID 79620196
2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 63509368
N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557845
3-(5,6-dimethylbenzimidazol-1-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79619959

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine (CID 79621609) is 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is CC(C)CNCC(C)(C)Cn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
The InChIKey is DNOVKFYUQSUDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-10(2)5-17-8-12(3,4)9-19-7-11(6-18-19)13(14,15)16/h6-7,10,17H,5,8-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine has a molecular weight of 277.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 79621609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).