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

C28H29N3O2 — CID 51069810

IUPACN-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)c1ccccc1
InChIInChI=1S/C28H29N3O2/c1-4-18-31(27(32)23-15-9-6-10-16-23)20-25-26(22-13-7-5-8-14-22)29-30(3)28(25)33-24-17-11-12-21(2)19-24/h5-17,19H,4,18,20H2,1-3H3
InChIKeyGPYKZGVBPIAPTI-UHFFFAOYSA-N
MW439.56 g/mol
LogP6.24
Rot. Bonds8

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

N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide (PubChem CID 51069810) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
PubChem CID51069810
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC NameN-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)c1ccccc1
InChIInChI=1S/C28H29N3O2/c1-4-18-31(27(32)23-15-9-6-10-16-23)20-25-26(22-13-7-5-8-14-22)29-30(3)28(25)33-24-17-11-12-21(2)19-24/h5-17,19H,4,18,20H2,1-3H3
InChIKeyGPYKZGVBPIAPTI-UHFFFAOYSA-N
XLogP6.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-methoxyethyl)-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069766
N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide
CID 51069808
4-fluoro-N-(furan-2-ylmethyl)-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069774
N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-4-fluoro-N-propylbenzamide
CID 51069649
N-cyclopropyl-3-fluoro-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069802
3-[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]propanoic acid
CID 46042318
2-methyl-1-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl-propylamino]but-3-en-2-ol
CID 42843282
2-methyl-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 51069817
2-fluoro-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136470
(2S)-1-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl-propan-2-ylamino]butan-2-ol
CID 93219333
N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 51068682
3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24718133

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide?
The IUPAC name of N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide (CID 51069810) is N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide?
The canonical SMILES for N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide is CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)c1ccccc1.
What is the InChIKey of N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide?
The InChIKey is GPYKZGVBPIAPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-4-18-31(27(32)23-15-9-6-10-16-23)20-25-26(22-13-7-5-8-14-22)29-30(3)28(25)33-24-17-11-12-21(2)19-24/h5-17,19H,4,18,20H2,1-3H3.
What are the key properties of N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide?
N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide has a molecular weight of 439.56 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 51069810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).