5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide

C18H21N5O — CID 86342111

IUPAC5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C18H21N5O/c1-10-5-6-11-8-12(9-21-13(11)7-10)15-14(17(20)24)16(19)23(22-15)18(2,3)4/h5-9H,19H2,1-4H3,(H2,20,24)
InChIKeyQNWAWMYUVHCJOJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.84
Rot. Bonds2

About 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide

5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86342111) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86342111
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C18H21N5O/c1-10-5-6-11-8-12(9-21-13(11)7-10)15-14(17(20)24)16(19)23(22-15)18(2,3)4/h5-9H,19H2,1-4H3,(H2,20,24)
InChIKeyQNWAWMYUVHCJOJ-UHFFFAOYSA-N
XLogP2.84
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide (CID 86342111) is 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide is Cc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is QNWAWMYUVHCJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-10-5-6-11-8-12(9-21-13(11)7-10)15-14(17(20)24)16(19)23(22-15)18(2,3)4/h5-9H,19H2,1-4H3,(H2,20,24).
What are the key properties of 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).