N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C27H30N4O — CID 55824300

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCc3ccccc3-c3ccc(CN(C)C)cc3)cc2)CC1
InChIInChI=1S/C27H30N4O/c1-20-16-17-31(29-20)25-14-12-23(13-15-25)27(32)28-18-24-6-4-5-7-26(24)22-10-8-21(9-11-22)19-30(2)3/h4-15H,16-19H2,1-3H3,(H,28,32)
InChIKeyVXBUUXSKKKFSQA-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.93
Rot. Bonds7

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 55824300) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID55824300
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCc3ccccc3-c3ccc(CN(C)C)cc3)cc2)CC1
InChIInChI=1S/C27H30N4O/c1-20-16-17-31(29-20)25-14-12-23(13-15-25)27(32)28-18-24-6-4-5-7-26(24)22-10-8-21(9-11-22)19-30(2)3/h4-15H,16-19H2,1-3H3,(H,28,32)
InChIKeyVXBUUXSKKKFSQA-UHFFFAOYSA-N
XLogP4.93
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 38262055
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
CID 47021287
N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide
CID 55699387
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38262519
N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 56800368
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717503
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
N-[1-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24661069
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55548638
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 38261216

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 55824300) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NCc3ccccc3-c3ccc(CN(C)C)cc3)cc2)CC1.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is VXBUUXSKKKFSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-20-16-17-31(29-20)25-14-12-23(13-15-25)27(32)28-18-24-6-4-5-7-26(24)22-10-8-21(9-11-22)19-30(2)3/h4-15H,16-19H2,1-3H3,(H,28,32).
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 55824300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).