5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

C18H19N3O3S — CID 42148026

IUPAC5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1OCc1cc(C(=O)NCc2ccc(C)s2)n[nH]1
InChIInChI=1S/C18H19N3O3S/c1-12-7-8-14(25-12)10-19-18(22)15-9-13(20-21-15)11-24-17-6-4-3-5-16(17)23-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOJCRBYRUCVBFSI-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.30
Rot. Bonds7

About 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42148026) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID42148026
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1OCc1cc(C(=O)NCc2ccc(C)s2)n[nH]1
InChIInChI=1S/C18H19N3O3S/c1-12-7-8-14(25-12)10-19-18(22)15-9-13(20-21-15)11-24-17-6-4-3-5-16(17)23-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOJCRBYRUCVBFSI-UHFFFAOYSA-N
XLogP3.30
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56760151
N-(2-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749610
5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56759334
N-[(2S)-2-hydroxybutyl]-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 95191354
5-[(2-methoxyphenoxy)methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-3-carboxamide
CID 56872415
5-[(2-fluorophenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56755768
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876589
N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56744159
N-[(2-ethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70730689
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56754413
5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42197018
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 42148026) is 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is COc1ccccc1OCc1cc(C(=O)NCc2ccc(C)s2)n[nH]1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OJCRBYRUCVBFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-7-8-14(25-12)10-19-18(22)15-9-13(20-21-15)11-24-17-6-4-3-5-16(17)23-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42148026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).