4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

C17H16N4O2 — CID 15366651

IUPAC4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2ncc(-c3ccc(C(N)=O)cc3)c2N)cc1
InChIInChI=1S/C17H16N4O2/c1-23-14-8-6-13(7-9-14)21-16(18)15(10-20-21)11-2-4-12(5-3-11)17(19)22/h2-10H,18H2,1H3,(H2,19,22)
InChIKeyDLJOTMUYQOUVAT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.23
Rot. Bonds4

About 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (PubChem CID 15366651) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
PubChem CID15366651
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2ncc(-c3ccc(C(N)=O)cc3)c2N)cc1
InChIInChI=1S/C17H16N4O2/c1-23-14-8-6-13(7-9-14)21-16(18)15(10-20-21)11-2-4-12(5-3-11)17(19)22/h2-10H,18H2,1H3,(H2,19,22)
InChIKeyDLJOTMUYQOUVAT-UHFFFAOYSA-N
XLogP2.23
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (CID 15366651) is 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is COc1ccc(-n2ncc(-c3ccc(C(N)=O)cc3)c2N)cc1.
What is the InChIKey of 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The InChIKey is DLJOTMUYQOUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-14-8-6-13(7-9-14)21-16(18)15(10-20-21)11-2-4-12(5-3-11)17(19)22/h2-10H,18H2,1H3,(H2,19,22).
What are the key properties of 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 15366651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).