5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

C21H25N5O3 — CID 42290375

IUPAC5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3c(C)nn(C)c3C)n[nH]2)c1
InChIInChI=1S/C21H25N5O3/c1-13-19(14(2)26(5)24-13)11-25(4)21(28)20-10-17(22-23-20)12-29-18-8-6-7-16(9-18)15(3)27/h6-10H,11-12H2,1-5H3,(H,22,23)
InChIKeyYVRMTGWFLRSTTI-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.81
Rot. Bonds7

About 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42290375) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42290375
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3c(C)nn(C)c3C)n[nH]2)c1
InChIInChI=1S/C21H25N5O3/c1-13-19(14(2)26(5)24-13)11-25(4)21(28)20-10-17(22-23-20)12-29-18-8-6-7-16(9-18)15(3)27/h6-10H,11-12H2,1-5H3,(H,22,23)
InChIKeyYVRMTGWFLRSTTI-UHFFFAOYSA-N
XLogP2.81
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
CID 74790623
N,5-dimethyl-4-[(3-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488211
1-[3-[[3-(thiomorpholine-4-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone
CID 42520699
N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56757672
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211
5-[(3-acetylphenoxy)methyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
CID 56745437
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084
4-[(4-ethylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19505625
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42595611
1-[3-[[3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone
CID 45200993

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42290375) is 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is CC(=O)c1cccc(OCc2cc(C(=O)N(C)Cc3c(C)nn(C)c3C)n[nH]2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YVRMTGWFLRSTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13-19(14(2)26(5)24-13)11-25(4)21(28)20-10-17(22-23-20)12-29-18-8-6-7-16(9-18)15(3)27/h6-10H,11-12H2,1-5H3,(H,22,23).
What are the key properties of 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42290375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).