5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one

C15H19N3O — CID 23334298

IUPAC5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one
SMILESCc1c(N)[nH]n(Cc2ccc3c(c2)CCCC3)c1=O
InChIInChI=1S/C15H19N3O/c1-10-14(16)17-18(15(10)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h6-8,17H,2-5,9,16H2,1H3
InChIKeyDBTYJXJHTXWACK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.99
Rot. Bonds2

About 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one

5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one (PubChem CID 23334298) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one
PubChem CID23334298
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one
SMILESCc1c(N)[nH]n(Cc2ccc3c(c2)CCCC3)c1=O
InChIInChI=1S/C15H19N3O/c1-10-14(16)17-18(15(10)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h6-8,17H,2-5,9,16H2,1H3
InChIKeyDBTYJXJHTXWACK-UHFFFAOYSA-N
XLogP1.99
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one (CID 23334298) is 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one is Cc1c(N)[nH]n(Cc2ccc3c(c2)CCCC3)c1=O.
What is the InChIKey of 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one?
The InChIKey is DBTYJXJHTXWACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-14(16)17-18(15(10)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h6-8,17H,2-5,9,16H2,1H3.
What are the key properties of 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one?
5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one has a molecular weight of 257.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 23334298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).