3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide

C14H20FN5O — CID 138473288

IUPAC3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCC1=CN(C(C)C(C)F)NC=C1c1n[nH]c(C)c1C(N)=O
InChIInChI=1S/C14H20FN5O/c1-7-6-20(10(4)8(2)15)17-5-11(7)13-12(14(16)21)9(3)18-19-13/h5-6,8,10,17H,1-4H3,(H2,16,21)(H,18,19)
InChIKeyKMKXAUUAXPBJNR-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.63
Rot. Bonds4

About 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide

3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 138473288) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID138473288
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC Name3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCC1=CN(C(C)C(C)F)NC=C1c1n[nH]c(C)c1C(N)=O
InChIInChI=1S/C14H20FN5O/c1-7-6-20(10(4)8(2)15)17-5-11(7)13-12(14(16)21)9(3)18-19-13/h5-6,8,10,17H,1-4H3,(H2,16,21)(H,18,19)
InChIKeyKMKXAUUAXPBJNR-UHFFFAOYSA-N
XLogP1.63
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide (CID 138473288) is 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide is CC1=CN(C(C)C(C)F)NC=C1c1n[nH]c(C)c1C(N)=O.
What is the InChIKey of 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is KMKXAUUAXPBJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c1-7-6-20(10(4)8(2)15)17-5-11(7)13-12(14(16)21)9(3)18-19-13/h5-6,8,10,17H,1-4H3,(H2,16,21)(H,18,19).
What are the key properties of 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide?
3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorobutan-2-yl)-4-methyl-1H-pyridazin-5-yl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 138473288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).