N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

C23H27N3O2 — CID 45198535

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)N(C)Cc2cn(C)nc2C)c2ccccc2)cc1
InChIInChI=1S/C23H27N3O2/c1-17-20(16-26(3)24-17)15-25(2)23(27)14-22(18-8-6-5-7-9-18)19-10-12-21(28-4)13-11-19/h5-13,16,22H,14-15H2,1-4H3
InChIKeyNBPWPMCNYTVIPZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.92
Rot. Bonds7

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide (PubChem CID 45198535) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
PubChem CID45198535
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)N(C)Cc2cn(C)nc2C)c2ccccc2)cc1
InChIInChI=1S/C23H27N3O2/c1-17-20(16-26(3)24-17)15-25(2)23(27)14-22(18-8-6-5-7-9-18)19-10-12-21(28-4)13-11-19/h5-13,16,22H,14-15H2,1-4H3
InChIKeyNBPWPMCNYTVIPZ-UHFFFAOYSA-N
XLogP3.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-N-methyl-3-phenylpropanamide
CID 25367831
(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519
(3S)-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 25451977
(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 97269540
1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea
CID 35520705
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30749972
(3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-phenylpropanamide
CID 42097118
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
3-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-N-methyl-3-phenylpropanamide
CID 45247426

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide (CID 45198535) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide is COc1ccc(C(CC(=O)N(C)Cc2cn(C)nc2C)c2ccccc2)cc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is NBPWPMCNYTVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-20(16-26(3)24-17)15-25(2)23(27)14-22(18-8-6-5-7-9-18)19-10-12-21(28-4)13-11-19/h5-13,16,22H,14-15H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 377.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 45198535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).