4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide

C16H16N4O — CID 65358599

IUPAC4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C16H16N4O/c1-2-20-10-13(17)15(19-20)16(21)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-10H,2,17H2,1H3,(H,18,21)
InChIKeyLCHIGIQVDWCKQB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds3

About 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide

4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide (PubChem CID 65358599) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
PubChem CID65358599
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cccc3ccccc23)n1
InChIInChI=1S/C16H16N4O/c1-2-20-10-13(17)15(19-20)16(21)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-10H,2,17H2,1H3,(H,18,21)
InChIKeyLCHIGIQVDWCKQB-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,3-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65357898
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
4-amino-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65469816
4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide
CID 116812579
4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82762231
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-N-(5-bromo-2-chlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65358030
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 65359038
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160
4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 102852362
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 107229536
4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
CID 107843308

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide (CID 65358599) is 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2cccc3ccccc23)n1.
What is the InChIKey of 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide?
The InChIKey is LCHIGIQVDWCKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-20-10-13(17)15(19-20)16(21)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-10H,2,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide?
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 65358599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).