1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide

C14H19N5O2 — CID 61004636

IUPAC1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2cn[nH]c2C)ccc1=O
InChIInChI=1S/C14H19N5O2/c1-3-4-7-19-13(20)6-5-12(18-19)14(21)15-8-11-9-16-17-10(11)2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,21)(H,16,17)
InChIKeyFCSGUMHTYBIZGL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.00
Rot. Bonds6

About 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 61004636) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID61004636
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2cn[nH]c2C)ccc1=O
InChIInChI=1S/C14H19N5O2/c1-3-4-7-19-13(20)6-5-12(18-19)14(21)15-8-11-9-16-17-10(11)2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,21)(H,16,17)
InChIKeyFCSGUMHTYBIZGL-UHFFFAOYSA-N
XLogP1.00
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 61004636) is 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2cn[nH]c2C)ccc1=O.
What is the InChIKey of 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is FCSGUMHTYBIZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-4-7-19-13(20)6-5-12(18-19)14(21)15-8-11-9-16-17-10(11)2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,21)(H,16,17).
What are the key properties of 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 61004636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).