5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide

C16H16N4O — CID 115330748

IUPAC5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2cccc3ccccc23)c1N
InChIInChI=1S/C16H16N4O/c1-20-15(17)14(10-19-20)16(21)18-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,17H2,1H3,(H,18,21)
InChIKeyWZKNXFOEYGJAEF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide

5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide (PubChem CID 115330748) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
PubChem CID115330748
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2cccc3ccccc23)c1N
InChIInChI=1S/C16H16N4O/c1-20-15(17)14(10-19-20)16(21)18-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,17H2,1H3,(H,18,21)
InChIKeyWZKNXFOEYGJAEF-UHFFFAOYSA-N
XLogP2.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone
CID 65360215
5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 110451969
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 115330998
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2,3-dichlorobenzamide
CID 79523235
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107015976
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methyl-2-nitrobenzamide
CID 79531428

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide (CID 115330748) is 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide is Cn1ncc(C(=O)NCc2cccc3ccccc23)c1N.
What is the InChIKey of 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is WZKNXFOEYGJAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-15(17)14(10-19-20)16(21)18-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,10H,9,17H2,1H3,(H,18,21).
What are the key properties of 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 115330748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).