3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide

C19H21N3O2 — CID 45284081

IUPAC3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cc(C)nn1C(C)C
InChIInChI=1S/C19H21N3O2/c1-12(2)22-18(9-13(3)21-22)20-19(23)16-10-14-7-5-6-8-15(14)11-17(16)24-4/h5-12H,1-4H3,(H,20,23)
InChIKeyAUZDLCYROBNWQC-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.19
Rot. Bonds4

About 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide

3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide (PubChem CID 45284081) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
PubChem CID45284081
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cc(C)nn1C(C)C
InChIInChI=1S/C19H21N3O2/c1-12(2)22-18(9-13(3)21-22)20-19(23)16-10-14-7-5-6-8-15(14)11-17(16)24-4/h5-12H,1-4H3,(H,20,23)
InChIKeyAUZDLCYROBNWQC-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide (CID 45284081) is 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1cc(C)nn1C(C)C.
What is the InChIKey of 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide?
The InChIKey is AUZDLCYROBNWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(2)22-18(9-13(3)21-22)20-19(23)16-10-14-7-5-6-8-15(14)11-17(16)24-4/h5-12H,1-4H3,(H,20,23).
What are the key properties of 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide?
3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 45284081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).