1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine

C13H19F2N5 — CID 122167209

IUPAC1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
SMILESCC(C)Cn1cc(CNCc2ccnn2C(F)F)cn1
InChIInChI=1S/C13H19F2N5/c1-10(2)8-19-9-11(6-18-19)5-16-7-12-3-4-17-20(12)13(14)15/h3-4,6,9-10,13,16H,5,7-8H2,1-2H3
InChIKeyZWMLSIRRYUUQEY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.42
Rot. Bonds7

About 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine

1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine (PubChem CID 122167209) 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-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
PubChem CID122167209
Molecular FormulaC13H19F2N5
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
SMILESCC(C)Cn1cc(CNCc2ccnn2C(F)F)cn1
InChIInChI=1S/C13H19F2N5/c1-10(2)8-19-9-11(6-18-19)5-16-7-12-3-4-17-20(12)13(14)15/h3-4,6,9-10,13,16H,5,7-8H2,1-2H3
InChIKeyZWMLSIRRYUUQEY-UHFFFAOYSA-N
XLogP2.42
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126964634
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine
CID 122168230
N,N-dimethyl-4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]aniline;dihydrochloride
CID 126968221
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167328
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
CID 126963928
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126966920
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122166655
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine (CID 122167209) is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine is CC(C)Cn1cc(CNCc2ccnn2C(F)F)cn1.
What is the InChIKey of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is ZWMLSIRRYUUQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N5/c1-10(2)8-19-9-11(6-18-19)5-16-7-12-3-4-17-20(12)13(14)15/h3-4,6,9-10,13,16H,5,7-8H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.42, 7 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-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 122167209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).