3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide

C23H27N3O3 — CID 55644256

IUPAC3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)cc(OC)c1C
InChIInChI=1S/C23H27N3O3/c1-16-21(28-3)13-19(14-22(16)29-4)23(27)24-12-8-9-18-15-26(25-17(18)2)20-10-6-5-7-11-20/h5-7,10-11,13-15H,8-9,12H2,1-4H3,(H,24,27)
InChIKeyQOOWFAKPALHNMW-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.87
Rot. Bonds8

About 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide

3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide (PubChem CID 55644256) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
PubChem CID55644256
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SMILESCOc1cc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)cc(OC)c1C
InChIInChI=1S/C23H27N3O3/c1-16-21(28-3)13-19(14-22(16)29-4)23(27)24-12-8-9-18-15-26(25-17(18)2)20-10-6-5-7-11-20/h5-7,10-11,13-15H,8-9,12H2,1-4H3,(H,24,27)
InChIKeyQOOWFAKPALHNMW-UHFFFAOYSA-N
XLogP3.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 46426573
5-chloro-2-methoxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(tetrazol-1-yl)benzamide
CID 55850404
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]propanamide
CID 46473166
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
CID 71685784
2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide
CID 46426764
1-ethyl-3-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxoquinoxaline-6-carboxamide
CID 46426625
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]prop-2-enamide
CID 98724103
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine
CID 111200560

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide (CID 55644256) is 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide is COc1cc(C(=O)NCCCc2cn(-c3ccccc3)nc2C)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The InChIKey is QOOWFAKPALHNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-21(28-3)13-19(14-22(16)29-4)23(27)24-12-8-9-18-15-26(25-17(18)2)20-10-6-5-7-11-20/h5-7,10-11,13-15H,8-9,12H2,1-4H3,(H,24,27).
What are the key properties of 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 55644256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).