[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine

C14H19FN4 — CID 64770261

IUPAC[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cc(F)ccc1CN
InChIInChI=1S/C14H19FN4/c1-18(8-11-7-17-19(2)9-11)10-13-5-14(15)4-3-12(13)6-16/h3-5,7,9H,6,8,10,16H2,1-2H3
InChIKeyITEDNLQFZGUDME-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.65
Rot. Bonds5

About [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine

[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 64770261) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
PubChem CID64770261
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
SMILESCN(Cc1cnn(C)c1)Cc1cc(F)ccc1CN
InChIInChI=1S/C14H19FN4/c1-18(8-11-7-17-19(2)9-11)10-13-5-14(15)4-3-12(13)6-16/h3-5,7,9H,6,8,10,16H2,1-2H3
InChIKeyITEDNLQFZGUDME-UHFFFAOYSA-N
XLogP1.65
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
2-(2-aminopropyl)-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 63815488
3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]naphthalen-2-amine
CID 61439662
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
3-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarbothioamide
CID 114481804
2-fluoro-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115404
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62134637
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438648
4-(aminomethyl)-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61438186
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine (CID 64770261) is [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine is CN(Cc1cnn(C)c1)Cc1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is ITEDNLQFZGUDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-18(8-11-7-17-19(2)9-11)10-13-5-14(15)4-3-12(13)6-16/h3-5,7,9H,6,8,10,16H2,1-2H3.
What are the key properties of [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine?
[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 262.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 64770261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).