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

C26H31N3O2 — CID 51069808

IUPACN-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide
SMILESCCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CCC1
InChIInChI=1S/C26H31N3O2/c1-4-16-29(25(30)21-13-9-14-21)18-23-24(20-11-6-5-7-12-20)27-28(3)26(23)31-22-15-8-10-19(2)17-22/h5-8,10-12,15,17,21H,4,9,13-14,16,18H2,1-3H3
InChIKeyHLZVLIHVNONEQK-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.73
Rot. Bonds8

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

N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide (PubChem CID 51069808) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide
PubChem CID51069808
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide
SMILESCCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CCC1
InChIInChI=1S/C26H31N3O2/c1-4-16-29(25(30)21-13-9-14-21)18-23-24(20-11-6-5-7-12-20)27-28(3)26(23)31-22-15-8-10-19(2)17-22/h5-8,10-12,15,17,21H,4,9,13-14,16,18H2,1-3H3
InChIKeyHLZVLIHVNONEQK-UHFFFAOYSA-N
XLogP5.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylbenzamide
CID 51069810
2-methyl-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 51069817
3-[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]propanoic acid
CID 46042318
2-fluoro-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136470
N-cyclopropyl-3-fluoro-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069802
2-methyl-1-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl-propylamino]but-3-en-2-ol
CID 42843282
4-fluoro-N-(2-methoxyethyl)-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069766
(2R)-1-[cyclopropyl-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93219355
(2S)-1-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl-propan-2-ylamino]butan-2-ol
CID 93219333
N-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 93136118
4-fluoro-N-(furan-2-ylmethyl)-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]benzamide
CID 51069774
2-methyl-N-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 51069293

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide?
The IUPAC name of N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide (CID 51069808) is N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide.
What is the SMILES notation for N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide?
The canonical SMILES for N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide is CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CCC1.
What is the InChIKey of N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide?
The InChIKey is HLZVLIHVNONEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-4-16-29(25(30)21-13-9-14-21)18-23-24(20-11-6-5-7-12-20)27-28(3)26(23)31-22-15-8-10-19(2)17-22/h5-8,10-12,15,17,21H,4,9,13-14,16,18H2,1-3H3.
What are the key properties of N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide?
N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-propylcyclobutanecarboxamide has a molecular weight of 417.55 g/mol, XLogP of 5.73, 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-propylcyclobutanecarboxamide is sourced from PubChem (CID 51069808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).