1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide

C19H22N4O2 — CID 167845276

IUPAC1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccn(CCN(C)C)n2)c2ccccc12
InChIInChI=1S/C19H22N4O2/c1-22(2)12-13-23-11-10-17(21-23)19(24)20-16-8-9-18(25-3)15-7-5-4-6-14(15)16/h4-11H,12-13H2,1-3H3,(H,20,24)
InChIKeySTAXFTBXJUBTJE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.86
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide (PubChem CID 167845276) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide
PubChem CID167845276
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccn(CCN(C)C)n2)c2ccccc12
InChIInChI=1S/C19H22N4O2/c1-22(2)12-13-23-11-10-17(21-23)19(24)20-16-8-9-18(25-3)15-7-5-4-6-14(15)16/h4-11H,12-13H2,1-3H3,(H,20,24)
InChIKeySTAXFTBXJUBTJE-UHFFFAOYSA-N
XLogP2.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide (CID 167845276) is 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide is COc1ccc(NC(=O)c2ccn(CCN(C)C)n2)c2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide?
The InChIKey is STAXFTBXJUBTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(2)12-13-23-11-10-17(21-23)19(24)20-16-8-9-18(25-3)15-7-5-4-6-14(15)16/h4-11H,12-13H2,1-3H3,(H,20,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 167845276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).