5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide

C15H17ClN4O — CID 144997723

IUPAC5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C2CCc3cccc(Cl)c3C2)c(C(N)=O)c1N
InChIInChI=1S/C15H17ClN4O/c1-20-14(17)12(15(18)21)13(19-20)9-6-5-8-3-2-4-11(16)10(8)7-9/h2-4,9H,5-7,17H2,1H3,(H2,18,21)
InChIKeyITKAHNMDOZHTQX-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.03
Rot. Bonds2

About 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide

5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 144997723) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID144997723
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C2CCc3cccc(Cl)c3C2)c(C(N)=O)c1N
InChIInChI=1S/C15H17ClN4O/c1-20-14(17)12(15(18)21)13(19-20)9-6-5-8-3-2-4-11(16)10(8)7-9/h2-4,9H,5-7,17H2,1H3,(H2,18,21)
InChIKeyITKAHNMDOZHTQX-UHFFFAOYSA-N
XLogP2.03
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide (CID 144997723) is 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide is Cn1nc(C2CCc3cccc(Cl)c3C2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ITKAHNMDOZHTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20-14(17)12(15(18)21)13(19-20)9-6-5-8-3-2-4-11(16)10(8)7-9/h2-4,9H,5-7,17H2,1H3,(H2,18,21).
What are the key properties of 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide?
5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 144997723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).