N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide

C29H31N3O3 — CID 51068682

IUPACN-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C29H31N3O3/c1-5-18-31(28(33)23-16-14-21(2)15-17-23)20-27-22(3)30-32(24-10-7-6-8-11-24)29(27)35-26-13-9-12-25(19-26)34-4/h6-17,19H,5,18,20H2,1-4H3
InChIKeyWLKQOBVVTOQFSJ-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.34
Rot. Bonds9

About N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide

N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide (PubChem CID 51068682) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
PubChem CID51068682
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C29H31N3O3/c1-5-18-31(28(33)23-16-14-21(2)15-17-23)20-27-22(3)30-32(24-10-7-6-8-11-24)29(27)35-26-13-9-12-25(19-26)34-4/h6-17,19H,5,18,20H2,1-4H3
InChIKeyWLKQOBVVTOQFSJ-UHFFFAOYSA-N
XLogP6.34
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
CID 51069076
1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea
CID 51068718
2-chloro-N-(2-methoxyethyl)-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068659
2-methoxy-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-N-propylacetamide
CID 42818833
N-benzyl-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069056
N-(cyclopropylmethyl)-4-fluoro-N-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069135
4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51069031
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
CID 51069041
N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068678
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
CID 51069038
(2R)-1-[2-methoxyethyl-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol
CID 93218014
N-benzyl-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069000

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide (CID 51068682) is N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide is CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide?
The InChIKey is WLKQOBVVTOQFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-5-18-31(28(33)23-16-14-21(2)15-17-23)20-27-22(3)30-32(24-10-7-6-8-11-24)29(27)35-26-13-9-12-25(19-26)34-4/h6-17,19H,5,18,20H2,1-4H3.
What are the key properties of N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide?
N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide has a molecular weight of 469.59 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 51068682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).