2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C14H17N3O — CID 117360393

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCn1ncc(-c2ccc3c(c2O)CCCC3)c1N
InChIInChI=1S/C14H17N3O/c1-17-14(15)12(8-16-17)11-7-6-9-4-2-3-5-10(9)13(11)18/h6-8,18H,2-5,15H2,1H3
InChIKeySERADLQKGWHHSR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.25
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 117360393) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID117360393
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCn1ncc(-c2ccc3c(c2O)CCCC3)c1N
InChIInChI=1S/C14H17N3O/c1-17-14(15)12(8-16-17)11-7-6-9-4-2-3-5-10(9)13(11)18/h6-8,18H,2-5,15H2,1H3
InChIKeySERADLQKGWHHSR-UHFFFAOYSA-N
XLogP2.25
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 117360393) is 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is Cn1ncc(-c2ccc3c(c2O)CCCC3)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is SERADLQKGWHHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-14(15)12(8-16-17)11-7-6-9-4-2-3-5-10(9)13(11)18/h6-8,18H,2-5,15H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 117360393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).