1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide

C18H19N3O — CID 850765

IUPAC1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc3ccccc23)n(C)n1
InChIInChI=1S/C18H19N3O/c1-3-7-14-12-17(21(2)20-14)18(22)19-16-11-6-9-13-8-4-5-10-15(13)16/h4-6,8-12H,3,7H2,1-2H3,(H,19,22)
InChIKeyHBQGXFUNIOZEIA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.78
Rot. Bonds4

About 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide

1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide (PubChem CID 850765) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide
PubChem CID850765
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc3ccccc23)n(C)n1
InChIInChI=1S/C18H19N3O/c1-3-7-14-12-17(21(2)20-14)18(22)19-16-11-6-9-13-8-4-5-10-15(13)16/h4-6,8-12H,3,7H2,1-2H3,(H,19,22)
InChIKeyHBQGXFUNIOZEIA-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide (CID 850765) is 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)Nc2cccc3ccccc23)n(C)n1.
What is the InChIKey of 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide?
The InChIKey is HBQGXFUNIOZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-7-14-12-17(21(2)20-14)18(22)19-16-11-6-9-13-8-4-5-10-15(13)16/h4-6,8-12H,3,7H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide?
1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-naphthalen-1-yl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 850765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).