4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline

C18H18FN3 — CID 166351963

IUPAC4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCc1cc(F)ccc1-c1ccc(NCc2cnn(C)c2)cc1
InChIInChI=1S/C18H18FN3/c1-13-9-16(19)5-8-18(13)15-3-6-17(7-4-15)20-10-14-11-21-22(2)12-14/h3-9,11-12,20H,10H2,1-2H3
InChIKeyXQURQEZXPFNPHE-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.15
Rot. Bonds4

About 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline

4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 166351963) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID166351963
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCc1cc(F)ccc1-c1ccc(NCc2cnn(C)c2)cc1
InChIInChI=1S/C18H18FN3/c1-13-9-16(19)5-8-18(13)15-3-6-17(7-4-15)20-10-14-11-21-22(2)12-14/h3-9,11-12,20H,10H2,1-2H3
InChIKeyXQURQEZXPFNPHE-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 75355989
5-[(1-methylpyrazol-4-yl)methylamino]isoindole-1,3-dione
CID 28600473
2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
2-[4-[(4-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766
2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]benzenecarbothioamide
CID 81276358
1-(4-fluorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea
CID 17279709
N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 43231929
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 71856953
1-[5-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469674
4-fluoro-5-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 103590050
N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
CID 43691138

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 166351963) is 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline is Cc1cc(F)ccc1-c1ccc(NCc2cnn(C)c2)cc1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is XQURQEZXPFNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c1-13-9-16(19)5-8-18(13)15-3-6-17(7-4-15)20-10-14-11-21-22(2)12-14/h3-9,11-12,20H,10H2,1-2H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline?
4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 295.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 166351963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).