N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine

C8H13F2N3 — CID 176568753

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1ccnn1C(F)F
InChIInChI=1S/C8H13F2N3/c1-3-12(2)6-7-4-5-11-13(7)8(9)10/h4-5,8H,3,6H2,1-2H3
InChIKeyXUDXKKWRQLQVGL-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.73
Rot. Bonds4

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine (PubChem CID 176568753) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine
PubChem CID176568753
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1ccnn1C(F)F
InChIInChI=1S/C8H13F2N3/c1-3-12(2)6-7-4-5-11-13(7)8(9)10/h4-5,8H,3,6H2,1-2H3
InChIKeyXUDXKKWRQLQVGL-UHFFFAOYSA-N
XLogP1.73
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine (CID 176568753) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine is CCN(C)Cc1ccnn1C(F)F.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine?
The InChIKey is XUDXKKWRQLQVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-3-12(2)6-7-4-5-11-13(7)8(9)10/h4-5,8H,3,6H2,1-2H3.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine has a molecular weight of 189.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 176568753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).