4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide

C29H32N4O2 — CID 138481285

IUPAC4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide
SMILESCC(C)c1cccc(OCc2cc(-c3ccc(NC(=O)c4ccc(CN(C)C)cc4)cc3)n[nH]2)c1
InChIInChI=1S/C29H32N4O2/c1-20(2)24-6-5-7-27(16-24)35-19-26-17-28(32-31-26)22-12-14-25(15-13-22)30-29(34)23-10-8-21(9-11-23)18-33(3)4/h5-17,20H,18-19H2,1-4H3,(H,30,34)(H,31,32)
InChIKeyWASYNQBBVBEONB-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.09
Rot. Bonds9

About 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide

4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide (PubChem CID 138481285) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide
PubChem CID138481285
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide
SMILESCC(C)c1cccc(OCc2cc(-c3ccc(NC(=O)c4ccc(CN(C)C)cc4)cc3)n[nH]2)c1
InChIInChI=1S/C29H32N4O2/c1-20(2)24-6-5-7-27(16-24)35-19-26-17-28(32-31-26)22-12-14-25(15-13-22)30-29(34)23-10-8-21(9-11-23)18-33(3)4/h5-17,20H,18-19H2,1-4H3,(H,30,34)(H,31,32)
InChIKeyWASYNQBBVBEONB-UHFFFAOYSA-N
XLogP6.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide (CID 138481285) is 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide is CC(C)c1cccc(OCc2cc(-c3ccc(NC(=O)c4ccc(CN(C)C)cc4)cc3)n[nH]2)c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide?
The InChIKey is WASYNQBBVBEONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20(2)24-6-5-7-27(16-24)35-19-26-17-28(32-31-26)22-12-14-25(15-13-22)30-29(34)23-10-8-21(9-11-23)18-33(3)4/h5-17,20H,18-19H2,1-4H3,(H,30,34)(H,31,32).
What are the key properties of 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide?
4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 6.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[4-[5-[(3-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 138481285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).