2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide

C18H18N4O2 — CID 171612445

IUPAC2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3cccc(C)n3)nc2CC(N)=O)cc1
InChIInChI=1S/C18H18N4O2/c1-12-4-3-5-18(20-12)22-11-15(16(21-22)10-17(19)23)13-6-8-14(24-2)9-7-13/h3-9,11H,10H2,1-2H3,(H2,19,23)
InChIKeyXCLMEHHZASMBSM-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide

2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide (PubChem CID 171612445) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
PubChem CID171612445
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3cccc(C)n3)nc2CC(N)=O)cc1
InChIInChI=1S/C18H18N4O2/c1-12-4-3-5-18(20-12)22-11-15(16(21-22)10-17(19)23)13-6-8-14(24-2)9-7-13/h3-9,11H,10H2,1-2H3,(H2,19,23)
InChIKeyXCLMEHHZASMBSM-UHFFFAOYSA-N
XLogP2.28
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide (CID 171612445) is 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide is COc1ccc(-c2cn(-c3cccc(C)n3)nc2CC(N)=O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide?
The InChIKey is XCLMEHHZASMBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-4-3-5-18(20-12)22-11-15(16(21-22)10-17(19)23)13-6-8-14(24-2)9-7-13/h3-9,11H,10H2,1-2H3,(H2,19,23).
What are the key properties of 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide?
2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 171612445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).