1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine

C11H11F2N3 — CID 82237939

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCNC(c1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3/c1-14-11(10-4-5-15-16-10)8-3-2-7(12)6-9(8)13/h2-6,11,14H,1H3,(H,15,16)
InChIKeyZJMVELSUYKOUBV-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.00
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine

1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 82237939) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
PubChem CID82237939
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCNC(c1ccn[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3/c1-14-11(10-4-5-15-16-10)8-3-2-7(12)6-9(8)13/h2-6,11,14H,1H3,(H,15,16)
InChIKeyZJMVELSUYKOUBV-UHFFFAOYSA-N
XLogP2.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(1H-pyrazol-5-yl)methanamine
CID 82236036
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114991158
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
N-[1-(2,5-difluorophenyl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 54881271
1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43484074
2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972171
1-(2,3-difluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 62649351
1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994095
1-(2,4-difluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065529
1-(1-benzothiophen-3-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994005

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (CID 82237939) is 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine is CNC(c1ccn[nH]1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is ZJMVELSUYKOUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-14-11(10-4-5-15-16-10)8-3-2-7(12)6-9(8)13/h2-6,11,14H,1H3,(H,15,16).
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 223.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 82237939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).