N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine

C23H26FN3O2 — CID 16190912

IUPACN-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyloxan-4-amine
SMILESCN(CC1=CN(N=C1C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC)C4CCOCC4
InChIInChI=1S/C23H26FN3O2/c1-26(20-10-12-29-13-11-20)15-18-16-27(21-6-8-22(28-2)9-7-21)25-23(18)17-4-3-5-19(24)14-17/h3-9,14,16,20H,10-13,15H2,1-2H3
InChIKeyGBGWEVIXWLGZSR-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.90
Rot. Bonds6

About N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine

N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine (PubChem CID 16190912) has the molecular formula C23H26FN3O2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine
PubChem CID16190912
Molecular FormulaC23H26FN3O2
Molecular Weight395.50 g/mol
Exact Mass395.20
IUPAC NameN-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyloxan-4-amine
SMILESCN(CC1=CN(N=C1C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC)C4CCOCC4
InChIInChI=1S/C23H26FN3O2/c1-26(20-10-12-29-13-11-20)15-18-16-27(21-6-8-22(28-2)9-7-21)25-23(18)17-4-3-5-19(24)14-17/h3-9,14,16,20H,10-13,15H2,1-2H3
InChIKeyGBGWEVIXWLGZSR-UHFFFAOYSA-N
XLogP3.90
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity497

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
(NE)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6894322
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 16189779
(1S)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
CID 164621667
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 26325235

Frequently Asked Questions

What is the IUPAC name of N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine?
The IUPAC name of N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine (CID 16190912) is N-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine?
The canonical SMILES for N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine is CN(CC1=CN(N=C1C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC)C4CCOCC4.
What is the InChIKey of N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine?
The InChIKey is GBGWEVIXWLGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-26(20-10-12-29-13-11-20)15-18-16-27(21-6-8-22(28-2)9-7-21)25-23(18)17-4-3-5-19(24)14-17/h3-9,14,16,20H,10-13,15H2,1-2H3.
What are the key properties of N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine?
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine has a molecular weight of 395.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine is sourced from PubChem (CID 16190912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).