N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C17H24N6O — CID 56824383

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCC3)nn2)n(C(C)(C)C)n1
InChIInChI=1S/C17H24N6O/c1-12-11-15(23(21-12)17(2,3)4)18-16(24)13-7-8-14(20-19-13)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,24)
InChIKeyYMVYTVMONYGATI-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.59
Rot. Bonds3

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 56824383) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID56824383
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N3CCCC3)nn2)n(C(C)(C)C)n1
InChIInChI=1S/C17H24N6O/c1-12-11-15(23(21-12)17(2,3)4)18-16(24)13-7-8-14(20-19-13)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,24)
InChIKeyYMVYTVMONYGATI-UHFFFAOYSA-N
XLogP2.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120568178
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(3-methyl-2,6-dioxopyrimidin-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028040
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55726371
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 56824383) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(N3CCCC3)nn2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is YMVYTVMONYGATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-11-15(23(21-12)17(2,3)4)18-16(24)13-7-8-14(20-19-13)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,24).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 56824383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).