4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide

C16H15N3O — CID 118526586

IUPAC4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H15N3O/c1-12-9-18-19(11-12)16(20)17-10-13-6-7-14-4-2-3-5-15(14)8-13/h2-9,11H,10H2,1H3,(H,17,20)
InChIKeyKUHIHZNOJDUDTF-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.10
Rot. Bonds2

About 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide

4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide (PubChem CID 118526586) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide
PubChem CID118526586
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide
SMILESCc1cnn(C(=O)NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H15N3O/c1-12-9-18-19(11-12)16(20)17-10-13-6-7-14-4-2-3-5-15(14)8-13/h2-9,11H,10H2,1H3,(H,17,20)
InChIKeyKUHIHZNOJDUDTF-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide?
The IUPAC name of 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide (CID 118526586) is 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide is Cc1cnn(C(=O)NCc2ccc3ccccc3c2)c1.
What is the InChIKey of 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide?
The InChIKey is KUHIHZNOJDUDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-9-18-19(11-12)16(20)17-10-13-6-7-14-4-2-3-5-15(14)8-13/h2-9,11H,10H2,1H3,(H,17,20).
What are the key properties of 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide?
4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(naphthalen-2-ylmethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 118526586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).