1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine

C12H17F2N5 — CID 122167116

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine
SMILESCCn1ncc(C)c1CNCc1ccn(C(F)F)n1
InChIInChI=1S/C12H17F2N5/c1-3-18-11(9(2)6-16-18)8-15-7-10-4-5-19(17-10)12(13)14/h4-6,12,15H,3,7-8H2,1-2H3
InChIKeyOEKZIJBGWICVHJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.09
Rot. Bonds6

About 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine

1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine (PubChem CID 122167116) has the molecular formula C12H17F2N5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine
PubChem CID122167116
Molecular FormulaC12H17F2N5
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine
SMILESCCn1ncc(C)c1CNCc1ccn(C(F)F)n1
InChIInChI=1S/C12H17F2N5/c1-3-18-11(9(2)6-16-18)8-15-7-10-4-5-19(17-10)12(13)14/h4-6,12,15H,3,7-8H2,1-2H3
InChIKeyOEKZIJBGWICVHJ-UHFFFAOYSA-N
XLogP2.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122167100
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine
CID 122166030
N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-3-methylbutan-1-amine
CID 122168886
N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]butan-1-amine
CID 122168967
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126966140
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
CID 126964300
N-[(2-ethylpyrazol-3-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126964762
2-[(1-ethyl-4-methylpyrazol-5-yl)methylamino]ethanol
CID 122166019
1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126964188
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122169186
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride
CID 126966346

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine (CID 122167116) is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine is CCn1ncc(C)c1CNCc1ccn(C(F)F)n1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine?
The InChIKey is OEKZIJBGWICVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5/c1-3-18-11(9(2)6-16-18)8-15-7-10-4-5-19(17-10)12(13)14/h4-6,12,15H,3,7-8H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine?
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine has a molecular weight of 269.30 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 122167116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).