1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine

C12H13F2N3 — CID 55110682

IUPAC1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C12H13F2N3/c1-15-5-9-6-16-17(7-9)8-10-2-3-11(13)4-12(10)14/h2-4,6-7,15H,5,8H2,1H3
InChIKeyVSGCLGDKEFZSNS-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.93
Rot. Bonds4

About 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine

1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 55110682) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID55110682
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccc(F)cc2F)c1
InChIInChI=1S/C12H13F2N3/c1-15-5-9-6-16-17(7-9)8-10-2-3-11(13)4-12(10)14/h2-4,6-7,15H,5,8H2,1H3
InChIKeyVSGCLGDKEFZSNS-UHFFFAOYSA-N
XLogP1.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62731399
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62729753
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
1-[(2,4-difluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 55045761
1-[(4-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)pyrazole
CID 114859114
N-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-4-amine
CID 43543559

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine (CID 55110682) is 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is VSGCLGDKEFZSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-15-5-9-6-16-17(7-9)8-10-2-3-11(13)4-12(10)14/h2-4,6-7,15H,5,8H2,1H3.
What are the key properties of 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 237.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 55110682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).