1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide

C14H12FN5O — CID 83166188

IUPAC1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2c(F)cc(N)c3cccnc23)n1
InChIInChI=1S/C14H12FN5O/c1-17-14(21)11-4-6-20(19-11)13-9(15)7-10(16)8-3-2-5-18-12(8)13/h2-7H,16H2,1H3,(H,17,21)
InChIKeyKQRGEYVMWUANJX-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.50
Rot. Bonds2

About 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide

1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 83166188) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide
PubChem CID83166188
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2c(F)cc(N)c3cccnc23)n1
InChIInChI=1S/C14H12FN5O/c1-17-14(21)11-4-6-20(19-11)13-9(15)7-10(16)8-3-2-5-18-12(8)13/h2-7H,16H2,1H3,(H,17,21)
InChIKeyKQRGEYVMWUANJX-UHFFFAOYSA-N
XLogP1.50
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide (CID 83166188) is 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2c(F)cc(N)c3cccnc23)n1.
What is the InChIKey of 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is KQRGEYVMWUANJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-17-14(21)11-4-6-20(19-11)13-9(15)7-10(16)8-3-2-5-18-12(8)13/h2-7H,16H2,1H3,(H,17,21).
What are the key properties of 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide?
1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 83166188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).