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

C17H18FN5O — CID 86342082

IUPAC5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2cnc3cc(F)ccc3c2)c(C(N)=O)c1N
InChIInChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24)
InChIKeyQHBDRDRJQJTZOX-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.67
Rot. Bonds2

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

5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 86342082) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID86342082
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1nc(-c2cnc3cc(F)ccc3c2)c(C(N)=O)c1N
InChIInChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24)
InChIKeyQHBDRDRJQJTZOX-UHFFFAOYSA-N
XLogP2.67
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.67
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-fluoroquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide (CID 86342082) is 5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide is CC(C)(C)n1nc(-c2cnc3cc(F)ccc3c2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is QHBDRDRJQJTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-17(2,3)23-15(19)13(16(20)24)14(22-23)10-6-9-4-5-11(18)7-12(9)21-8-10/h4-8H,19H2,1-3H3,(H2,20,24).
What are the key properties of 5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.67, 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-fluoroquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86342082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).