4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide

C19H22N6O — CID 174514945

IUPAC4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCCCCc1c(C(N)=O)nn(-c2ccc(C)nn2)c1-c1ccc(C)cn1
InChIInChI=1S/C19H22N6O/c1-4-5-6-14-17(19(20)26)24-25(16-10-8-13(3)22-23-16)18(14)15-9-7-12(2)11-21-15/h7-11H,4-6H2,1-3H3,(H2,20,26)
InChIKeyBFXVWRHAYJBCEN-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.78
Rot. Bonds6

About 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide

4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 174514945) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID174514945
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCCCCc1c(C(N)=O)nn(-c2ccc(C)nn2)c1-c1ccc(C)cn1
InChIInChI=1S/C19H22N6O/c1-4-5-6-14-17(19(20)26)24-25(16-10-8-13(3)22-23-16)18(14)15-9-7-12(2)11-21-15/h7-11H,4-6H2,1-3H3,(H2,20,26)
InChIKeyBFXVWRHAYJBCEN-UHFFFAOYSA-N
XLogP2.78
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 174514945) is 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide is CCCCc1c(C(N)=O)nn(-c2ccc(C)nn2)c1-c1ccc(C)cn1.
What is the InChIKey of 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is BFXVWRHAYJBCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-4-5-6-14-17(19(20)26)24-25(16-10-8-13(3)22-23-16)18(14)15-9-7-12(2)11-21-15/h7-11H,4-6H2,1-3H3,(H2,20,26).
What are the key properties of 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 174514945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).