4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

C29H30FN3O3 — CID 51069031

IUPAC4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(Oc2c(CN(CC(C)C)C(=O)c3ccc(F)cc3)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C29H30FN3O3/c1-20(2)18-32(28(34)22-10-12-23(30)13-11-22)19-27-21(3)31-33(24-8-6-5-7-9-24)29(27)36-26-16-14-25(35-4)15-17-26/h5-17,20H,18-19H2,1-4H3
InChIKeyGWQNGLJSZSKQHE-UHFFFAOYSA-N
MW487.58 g/mol
LogP6.42
Rot. Bonds9

About 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 51069031) has the molecular formula C29H30FN3O3 and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID51069031
Molecular FormulaC29H30FN3O3
Molecular Weight487.58 g/mol
Exact Mass487.23
IUPAC Name4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(Oc2c(CN(CC(C)C)C(=O)c3ccc(F)cc3)c(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C29H30FN3O3/c1-20(2)18-32(28(34)22-10-12-23(30)13-11-22)19-27-21(3)31-33(24-8-6-5-7-9-24)29(27)36-26-16-14-25(35-4)15-17-26/h5-17,20H,18-19H2,1-4H3
InChIKeyGWQNGLJSZSKQHE-UHFFFAOYSA-N
XLogP6.42
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069056
N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
CID 51069076
N-[(2S)-butan-2-yl]-4-chloro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93136014
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
CID 51069038
N-[(2S)-butan-2-yl]-4-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93135948
N-(cyclopropylmethyl)-4-fluoro-N-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069135
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
CID 51069041
N-cyclopropyl-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
CID 51069070
N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 51068682
N-benzyl-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069000
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703
2-chloro-N-[(4-fluorophenyl)methyl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069020

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (CID 51069031) is 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is COc1ccc(Oc2c(CN(CC(C)C)C(=O)c3ccc(F)cc3)c(C)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is GWQNGLJSZSKQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O3/c1-20(2)18-32(28(34)22-10-12-23(30)13-11-22)19-27-21(3)31-33(24-8-6-5-7-9-24)29(27)36-26-16-14-25(35-4)15-17-26/h5-17,20H,18-19H2,1-4H3.
What are the key properties of 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 487.58 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 51069031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).