N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide

C23H26FN3O3 — CID 66679494

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide
SMILESCOc1ccc(-c2cnn(CCCC(=O)N(C)Cc3cc(F)ccc3OC)c2)cc1
InChIInChI=1S/C23H26FN3O3/c1-26(15-18-13-20(24)8-11-22(18)30-3)23(28)5-4-12-27-16-19(14-25-27)17-6-9-21(29-2)10-7-17/h6-11,13-14,16H,4-5,12,15H2,1-3H3
InChIKeyVZQAHFDGXDYOOO-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.15
Rot. Bonds9

About N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide

N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide (PubChem CID 66679494) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide
PubChem CID66679494
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide
SMILESCOc1ccc(-c2cnn(CCCC(=O)N(C)Cc3cc(F)ccc3OC)c2)cc1
InChIInChI=1S/C23H26FN3O3/c1-26(15-18-13-20(24)8-11-22(18)30-3)23(28)5-4-12-27-16-19(14-25-27)17-6-9-21(29-2)10-7-17/h6-11,13-14,16H,4-5,12,15H2,1-3H3
InChIKeyVZQAHFDGXDYOOO-UHFFFAOYSA-N
XLogP4.15
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2''-((N-ethylcyclopropanecarboxamido)methyl)-6-methoxy-4''-(1-methyl-1H-pyrazol-4-yl)biphenyl-3-yl)acetic acid
CID 53325800
3-(4-methoxyphenyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 1244077
(1R)-7-ethoxy-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1H-3-benzazepin-2-one
CID 168298613
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 3238161
US10617680, Example 191
CID 135355518
US11014912, Example 67
CID 141757234
2-fluoro-4-[4-(3-fluoro-4-methoxyphenyl)-1-[2-[(3R)-3-methylazepan-1-yl]-2-oxoethyl]pyrazol-3-yl]benzonitrile
CID 166611545
N,N-diethyl-1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinecarboxamide
CID 16192105
N-ethyl-1-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791441
1-(2-methoxybenzyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24793286
1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24818870
({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]methylamine
CID 42361642

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide (CID 66679494) is N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide is COc1ccc(-c2cnn(CCCC(=O)N(C)Cc3cc(F)ccc3OC)c2)cc1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide?
The InChIKey is VZQAHFDGXDYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-26(15-18-13-20(24)8-11-22(18)30-3)23(28)5-4-12-27-16-19(14-25-27)17-6-9-21(29-2)10-7-17/h6-11,13-14,16H,4-5,12,15H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide?
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide has a molecular weight of 411.48 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-methylbutanamide is sourced from PubChem (CID 66679494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).