1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide

C16H20N4O — CID 63931028

IUPAC1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H20N4O/c1-10-15(11(2)20(3)19-10)16(21)18-13-7-6-12-5-4-8-17-14(12)9-13/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,21)
InChIKeyBOZUWLMTXUFFCD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.65
Rot. Bonds2

About 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide (PubChem CID 63931028) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide
PubChem CID63931028
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C16H20N4O/c1-10-15(11(2)20(3)19-10)16(21)18-13-7-6-12-5-4-8-17-14(12)9-13/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,21)
InChIKeyBOZUWLMTXUFFCD-UHFFFAOYSA-N
XLogP2.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide (CID 63931028) is 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide?
The InChIKey is BOZUWLMTXUFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-15(11(2)20(3)19-10)16(21)18-13-7-6-12-5-4-8-17-14(12)9-13/h6-7,9,17H,4-5,8H2,1-3H3,(H,18,21).
What are the key properties of 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 63931028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).