(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone

C15H13N3O — CID 65360215

IUPAC(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone
SMILESCn1ncc(C(=O)c2cccc3ccccc23)c1N
InChIInChI=1S/C15H13N3O/c1-18-15(16)13(9-17-18)14(19)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,16H2,1H3
InChIKeyZOFWEGIAMPTBJP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.39
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone

(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone (PubChem CID 65360215) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone
PubChem CID65360215
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone
SMILESCn1ncc(C(=O)c2cccc3ccccc23)c1N
InChIInChI=1S/C15H13N3O/c1-18-15(16)13(9-17-18)14(19)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,16H2,1H3
InChIKeyZOFWEGIAMPTBJP-UHFFFAOYSA-N
XLogP2.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
CID 65360377
5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 115330748
(5-amino-1-methylpyrazol-4-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114744165
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
(5-amino-1-methylpyrazol-4-yl)-(2-chlorothiophen-3-yl)methanone
CID 131048993
naphthalen-1-yl-(1-propylpyrazol-4-yl)methanone
CID 62717590
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanone
CID 63976768
(5-amino-1-methylpyrazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113288574
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 146007709
(4-bromo-1-propan-2-ylpyrazol-5-yl)-naphthalen-1-ylmethanone
CID 114639812

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone (CID 65360215) is (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone is Cn1ncc(C(=O)c2cccc3ccccc23)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone?
The InChIKey is ZOFWEGIAMPTBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-18-15(16)13(9-17-18)14(19)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,16H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone?
(5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone has a molecular weight of 251.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 65360215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).