4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide

C22H25N3O2 — CID 77097945

IUPAC4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CN(C)C(=O)c2ccc(-c3cccc(OC)c3)cc2)[nH]n1
InChIInChI=1S/C22H25N3O2/c1-4-6-19-14-20(24-23-19)15-25(2)22(26)17-11-9-16(10-12-17)18-7-5-8-21(13-18)27-3/h5,7-14H,4,6,15H2,1-3H3,(H,23,24)
InChIKeyIQTFNRAICIGZTB-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.31
Rot. Bonds7

About 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide

4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 77097945) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID77097945
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CN(C)C(=O)c2ccc(-c3cccc(OC)c3)cc2)[nH]n1
InChIInChI=1S/C22H25N3O2/c1-4-6-19-14-20(24-23-19)15-25(2)22(26)17-11-9-16(10-12-17)18-7-5-8-21(13-18)27-3/h5,7-14H,4,6,15H2,1-3H3,(H,23,24)
InChIKeyIQTFNRAICIGZTB-UHFFFAOYSA-N
XLogP4.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 118767035
N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 122572204
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 163777433
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 155503480
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 91768176
3-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511572
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide (CID 77097945) is 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide is CCCc1cc(CN(C)C(=O)c2ccc(-c3cccc(OC)c3)cc2)[nH]n1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is IQTFNRAICIGZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-6-19-14-20(24-23-19)15-25(2)22(26)17-11-9-16(10-12-17)18-7-5-8-21(13-18)27-3/h5,7-14H,4,6,15H2,1-3H3,(H,23,24).
What are the key properties of 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 77097945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).