5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

C19H18N4O3 — CID 42194211

IUPAC5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)NCc3cccnc3)n[nH]2)c1
InChIInChI=1S/C19H18N4O3/c1-13(24)15-5-2-6-17(8-15)26-12-16-9-18(23-22-16)19(25)21-11-14-4-3-7-20-10-14/h2-10H,11-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyXRKXJVVTHOAJEA-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.52
Rot. Bonds7

About 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide

5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 42194211) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID42194211
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)NCc3cccnc3)n[nH]2)c1
InChIInChI=1S/C19H18N4O3/c1-13(24)15-5-2-6-17(8-15)26-12-16-9-18(23-22-16)19(25)21-11-14-4-3-7-20-10-14/h2-10H,11-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyXRKXJVVTHOAJEA-UHFFFAOYSA-N
XLogP2.52
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42197018
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751
5-tert-butyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 110852012
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
CID 56745437
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 71830494
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 42194211) is 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is CC(=O)c1cccc(OCc2cc(C(=O)NCc3cccnc3)n[nH]2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XRKXJVVTHOAJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13(24)15-5-2-6-17(8-15)26-12-16-9-18(23-22-16)19(25)21-11-14-4-3-7-20-10-14/h2-10H,11-12H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42194211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).