1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine

C13H19F2N5 — CID 122167208

IUPAC1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CNCc2ccnn2C(F)F)n(C)n1
InChIInChI=1S/C13H19F2N5/c1-9(2)12-6-11(19(3)18-12)8-16-7-10-4-5-17-20(10)13(14)15/h4-6,9,13,16H,7-8H2,1-3H3
InChIKeyABVFGADXCLGCCT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine

1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine (PubChem CID 122167208) has the molecular formula C13H19F2N5 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
PubChem CID122167208
Molecular FormulaC13H19F2N5
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CNCc2ccnn2C(F)F)n(C)n1
InChIInChI=1S/C13H19F2N5/c1-9(2)12-6-11(19(3)18-12)8-16-7-10-4-5-17-20(10)13(14)15/h4-6,9,13,16H,7-8H2,1-3H3
InChIKeyABVFGADXCLGCCT-UHFFFAOYSA-N
XLogP2.42
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine (CID 122167208) is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine is CC(C)c1cc(CNCc2ccnn2C(F)F)n(C)n1.
What is the InChIKey of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine?
The InChIKey is ABVFGADXCLGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5/c1-9(2)12-6-11(19(3)18-12)8-16-7-10-4-5-17-20(10)13(14)15/h4-6,9,13,16H,7-8H2,1-3H3.
What are the key properties of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine?
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 122167208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).