2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide

C19H25N3O3 — CID 71702937

IUPAC2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C19H25N3O3/c1-13-17(11-18(23)20-12-14-7-9-25-10-8-14)19(22-21-13)15-3-5-16(24-2)6-4-15/h3-6,14H,7-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyXNVNJDYFTJVZLO-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.48
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide

2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 71702937) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID71702937
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C19H25N3O3/c1-13-17(11-18(23)20-12-14-7-9-25-10-8-14)19(22-21-13)15-3-5-16(24-2)6-4-15/h3-6,14H,7-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyXNVNJDYFTJVZLO-UHFFFAOYSA-N
XLogP2.48
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-(4-Methoxyphenyl)-1H-pyrazol-3-yl)piperidine
CID 1486801
3-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 28750454
3-(4-methoxyphenyl)-N-(6-sulfanylhexyl)-1H-pyrazole-5-carboxamide
CID 127027678
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
5-(2-hydroxyphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 666046
3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide
CID 4593003
4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 5309050
(4-methoxyphenyl)(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 8031310
4-[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)carbonyl]morpholine
CID 16189166
(4-fluorophenyl)[3-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 17582182
5-Ethyl-N-(1-{[1-(4-methoxyphenyl)cyclohexyl]methyl}piperidin-4-YL)-4-methyl-2H-pyrazole-3-carboxamide
CID 44522216
N-[(4-fluorophenyl)methyl]-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49790685

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide (CID 71702937) is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide is COc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is XNVNJDYFTJVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-17(11-18(23)20-12-14-7-9-25-10-8-14)19(22-21-13)15-3-5-16(24-2)6-4-15/h3-6,14H,7-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 71702937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).