1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine

C13H14F3N3 — CID 122168259

IUPAC1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
SMILESFCCn1cc(CNCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C13H14F3N3/c14-1-2-19-9-11(8-18-19)7-17-6-10-3-12(15)5-13(16)4-10/h3-5,8-9,17H,1-2,6-7H2
InChIKeyCFCKJEYTMHENOI-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.42
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine

1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine (PubChem CID 122168259) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
PubChem CID122168259
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
SMILESFCCn1cc(CNCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C13H14F3N3/c14-1-2-19-9-11(8-18-19)7-17-6-10-3-12(15)5-13(16)4-10/h3-5,8-9,17H,1-2,6-7H2
InChIKeyCFCKJEYTMHENOI-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126966351
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122166848
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126968198
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-methylpyrazol-3-yl)methanamine;hydrochloride
CID 126963928
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine
CID 122168597
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122167162
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166954
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
4-(chloromethyl)-1-(2-fluoroethyl)pyrazole;hydrochloride
CID 126964998

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine (CID 122168259) is 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine is FCCn1cc(CNCc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is CFCKJEYTMHENOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-1-2-19-9-11(8-18-19)7-17-6-10-3-12(15)5-13(16)4-10/h3-5,8-9,17H,1-2,6-7H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine?
1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 122168259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).