1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C13H16FN3 — CID 22196060

IUPAC1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cnn(C)c1
InChIInChI=1S/C13H16FN3/c1-16(9-12-7-15-17(2)10-12)8-11-3-5-13(14)6-4-11/h3-7,10H,8-9H2,1-2H3
InChIKeySJIYTBKQKKSMCZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 22196060) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID22196060
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cnn(C)c1
InChIInChI=1S/C13H16FN3/c1-16(9-12-7-15-17(2)10-12)8-11-3-5-13(14)6-4-11/h3-7,10H,8-9H2,1-2H3
InChIKeySJIYTBKQKKSMCZ-UHFFFAOYSA-N
XLogP2.19
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347516
[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 64770261
N-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208786
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438648
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105347517
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111307712
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
2-bromo-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 115557082

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 22196060) is 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is CN(Cc1ccc(F)cc1)Cc1cnn(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is SJIYTBKQKKSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-16(9-12-7-15-17(2)10-12)8-11-3-5-13(14)6-4-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 22196060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).