4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide

C24H22N4O2 — CID 55708042

IUPAC4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-18-12-14-27-28(18)22-8-6-21(7-9-22)24(29)26-16-19-4-10-23(11-5-19)30-17-20-3-2-13-25-15-20/h2-15H,16-17H2,1H3,(H,26,29)
InChIKeyNNJGBGPFPHVDGC-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.08
Rot. Bonds7

About 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide

4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55708042) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55708042
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-18-12-14-27-28(18)22-8-6-21(7-9-22)24(29)26-16-19-4-10-23(11-5-19)30-17-20-3-2-13-25-15-20/h2-15H,16-17H2,1H3,(H,26,29)
InChIKeyNNJGBGPFPHVDGC-UHFFFAOYSA-N
XLogP4.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
5-(methoxymethyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78876213
4-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 26251280
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46466645

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide (CID 55708042) is 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide is Cc1ccnn1-c1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is NNJGBGPFPHVDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-18-12-14-27-28(18)22-8-6-21(7-9-22)24(29)26-16-19-4-10-23(11-5-19)30-17-20-3-2-13-25-15-20/h2-15H,16-17H2,1H3,(H,26,29).
What are the key properties of 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55708042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).