N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C12H20F3N3 — CID 50968757

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C12H20F3N3/c1-11(2,3)10-7-9(16-17-10)8-18(4)6-5-12(13,14)15/h7H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyJDDQPPFSBVXVCH-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.09
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 50968757) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID50968757
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C12H20F3N3/c1-11(2,3)10-7-9(16-17-10)8-18(4)6-5-12(13,14)15/h7H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyJDDQPPFSBVXVCH-UHFFFAOYSA-N
XLogP3.09
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 50968757) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is JDDQPPFSBVXVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-11(2,3)10-7-9(16-17-10)8-18(4)6-5-12(13,14)15/h7H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 50968757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).