N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

C17H14FN5O2 — CID 136523539

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H14FN5O2/c18-11-3-5-12(6-4-11)23-16(24)8-7-13(22-23)17(25)19-15-9-14(20-21-15)10-1-2-10/h3-10H,1-2H2,(H2,19,20,21,25)
InChIKeyGWVNLVZNULWQAV-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.22
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 136523539) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID136523539
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1cc(C2CC2)[nH]n1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H14FN5O2/c18-11-3-5-12(6-4-11)23-16(24)8-7-13(22-23)17(25)19-15-9-14(20-21-15)10-1-2-10/h3-10H,1-2H2,(H2,19,20,21,25)
InChIKeyGWVNLVZNULWQAV-UHFFFAOYSA-N
XLogP2.22
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 136523539) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is GWVNLVZNULWQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c18-11-3-5-12(6-4-11)23-16(24)8-7-13(22-23)17(25)19-15-9-14(20-21-15)10-1-2-10/h3-10H,1-2H2,(H2,19,20,21,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 136523539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).