N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide

C22H26N4O — CID 31544557

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H26N4O/c1-25(2)16-19-10-8-18(9-11-19)14-23-22(27)13-12-20-15-24-26(17-20)21-6-4-3-5-7-21/h3-11,15,17H,12-14,16H2,1-2H3,(H,23,27)
InChIKeyALPLQIMNVIOXDQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.18
Rot. Bonds8

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 31544557) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID31544557
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCN(C)Cc1ccc(CNC(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H26N4O/c1-25(2)16-19-10-8-18(9-11-19)14-23-22(27)13-12-20-15-24-26(17-20)21-6-4-3-5-7-21/h3-11,15,17H,12-14,16H2,1-2H3,(H,23,27)
InChIKeyALPLQIMNVIOXDQ-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 86980187
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 29261722
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134035986

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 31544557) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide is CN(C)Cc1ccc(CNC(=O)CCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is ALPLQIMNVIOXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-25(2)16-19-10-8-18(9-11-19)14-23-22(27)13-12-20-15-24-26(17-20)21-6-4-3-5-7-21/h3-11,15,17H,12-14,16H2,1-2H3,(H,23,27).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 362.48 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 31544557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).