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

C28H29N3O3 — CID 51069076

IUPACN-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-4-19-30(27(32)22-11-7-5-8-12-22)20-26-21(2)29-31(23-13-9-6-10-14-23)28(26)34-25-17-15-24(33-3)16-18-25/h5-18H,4,19-20H2,1-3H3
InChIKeyWKGGTIYJKHVPTL-UHFFFAOYSA-N
MW455.56 g/mol
LogP6.03
Rot. Bonds9

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

N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide (PubChem CID 51069076) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
PubChem CID51069076
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)c1ccccc1
InChIInChI=1S/C28H29N3O3/c1-4-19-30(27(32)22-11-7-5-8-12-22)20-26-21(2)29-31(23-13-9-6-10-14-23)28(26)34-25-17-15-24(33-3)16-18-25/h5-18H,4,19-20H2,1-3H3
InChIKeyWKGGTIYJKHVPTL-UHFFFAOYSA-N
XLogP6.03
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 56.03
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-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 51068682
2-methoxy-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-N-propylacetamide
CID 42818833
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
CID 51069041
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]-2-methylpropanamide
CID 51069038
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 51069535
N-[(2S)-butan-2-yl]-4-chloro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93136014
(2S)-1-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propylamino]-3-methylbutan-2-ol
CID 93218303
N-benzyl-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069000
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-ethyl-1-(2-methoxyethyl)urea
CID 51069588
1-[[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-3-propan-2-yl-1-propylurea
CID 51068528

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide?
The IUPAC name of N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide (CID 51069076) is N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide?
The canonical SMILES for N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide is CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide?
The InChIKey is WKGGTIYJKHVPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-4-19-30(27(32)22-11-7-5-8-12-22)20-26-21(2)29-31(23-13-9-6-10-14-23)28(26)34-25-17-15-24(33-3)16-18-25/h5-18H,4,19-20H2,1-3H3.
What are the key properties of N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide?
N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide has a molecular weight of 455.56 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 51069076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).