5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide

C18H18N4O3 — CID 42197018

IUPAC5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)NCc3ccncc3)n[nH]2)c1
InChIInChI=1S/C18H18N4O3/c1-24-15-3-2-4-16(10-15)25-12-14-9-17(22-21-14)18(23)20-11-13-5-7-19-8-6-13/h2-10H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyHKKHPAGADZJGJA-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.32
Rot. Bonds7

About 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide

5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 42197018) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID42197018
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)NCc3ccncc3)n[nH]2)c1
InChIInChI=1S/C18H18N4O3/c1-24-15-3-2-4-16(10-15)25-12-14-9-17(22-21-14)18(23)20-11-13-5-7-19-8-6-13/h2-10H,11-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyHKKHPAGADZJGJA-UHFFFAOYSA-N
XLogP2.32
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxyphenoxy)methyl]-N-[2-(methylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 56756097
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56750387
5-ethyl-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 78901654
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56755829
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide (CID 42197018) is 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide is COc1cccc(OCc2cc(C(=O)NCc3ccncc3)n[nH]2)c1.
What is the InChIKey of 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HKKHPAGADZJGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-15-3-2-4-16(10-15)25-12-14-9-17(22-21-14)18(23)20-11-13-5-7-19-8-6-13/h2-10H,11-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide?
5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42197018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).