N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide

C25H23N3O2 — CID 24548704

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C25H23N3O2/c1-30-18-19-9-8-12-21(15-19)25(29)26-16-22-17-28(23-13-6-3-7-14-23)27-24(22)20-10-4-2-5-11-20/h2-15,17H,16,18H2,1H3,(H,26,29)
InChIKeyRBKZKVBQPWUIMG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.62
Rot. Bonds7

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide (PubChem CID 24548704) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
PubChem CID24548704
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
SMILESCOCc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C25H23N3O2/c1-30-18-19-9-8-12-21(15-19)25(29)26-16-22-17-28(23-13-6-3-7-14-23)27-24(22)20-10-4-2-5-11-20/h2-15,17H,16,18H2,1H3,(H,26,29)
InChIKeyRBKZKVBQPWUIMG-UHFFFAOYSA-N
XLogP4.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290281
3-[(2-chloro-5-methylphenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290270
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290273
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288852
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27864271
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24548793
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide (CID 24548704) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide is COCc1cccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide?
The InChIKey is RBKZKVBQPWUIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-30-18-19-9-8-12-21(15-19)25(29)26-16-22-17-28(23-13-6-3-7-14-23)27-24(22)20-10-4-2-5-11-20/h2-15,17H,16,18H2,1H3,(H,26,29).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 24548704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).