N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide

C20H18N6O2 — CID 141484716

IUPACN-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
SMILESCOc1cccc(-n2cc(NC(=O)Cn3ccc(-c4ccccn4)n3)cn2)c1
InChIInChI=1S/C20H18N6O2/c1-28-17-6-4-5-16(11-17)26-13-15(12-22-26)23-20(27)14-25-10-8-19(24-25)18-7-2-3-9-21-18/h2-13H,14H2,1H3,(H,23,27)
InChIKeyDHXIBDJOPXTANC-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.78
Rot. Bonds6

About N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide

N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide (PubChem CID 141484716) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
PubChem CID141484716
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
SMILESCOc1cccc(-n2cc(NC(=O)Cn3ccc(-c4ccccn4)n3)cn2)c1
InChIInChI=1S/C20H18N6O2/c1-28-17-6-4-5-16(11-17)26-13-15(12-22-26)23-20(27)14-25-10-8-19(24-25)18-7-2-3-9-21-18/h2-13H,14H2,1H3,(H,23,27)
InChIKeyDHXIBDJOPXTANC-UHFFFAOYSA-N
XLogP2.78
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide (CID 141484716) is N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide is COc1cccc(-n2cc(NC(=O)Cn3ccc(-c4ccccn4)n3)cn2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
The InChIKey is DHXIBDJOPXTANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-28-17-6-4-5-16(11-17)26-13-15(12-22-26)23-20(27)14-25-10-8-19(24-25)18-7-2-3-9-21-18/h2-13H,14H2,1H3,(H,23,27).
What are the key properties of N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide?
N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)pyrazol-4-yl]-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 141484716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).