N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide

C18H20N6O — CID 23143690

IUPACN-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)nn1
InChIInChI=1S/C18H20N6O/c1-12-7-8-14(22-21-12)16-10-15(17(25)20-18(2,3)4)23-24(16)13-6-5-9-19-11-13/h5-11H,1-4H3,(H,20,25)
InChIKeyOMYLBRLFBZJCFA-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.56
Rot. Bonds3

About N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide

N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 23143690) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID23143690
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)nn1
InChIInChI=1S/C18H20N6O/c1-12-7-8-14(22-21-12)16-10-15(17(25)20-18(2,3)4)23-24(16)13-6-5-9-19-11-13/h5-11H,1-4H3,(H,20,25)
InChIKeyOMYLBRLFBZJCFA-UHFFFAOYSA-N
XLogP2.56
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(acetamidomethyl)-2-pyridinyl]-N-tert-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143604
methyl 3-[6-[3-(tert-butylcarbamoyl)-1-pyridin-3-ylpyrazol-5-yl]-3-pyridinyl]propanoate
CID 23143591
N-(1-hydroxy-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143796
N-(1-fluoro-2-methylpropan-2-yl)-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 23143688
6-[3-[(1-fluoro-2-methylpropan-2-yl)carbamoyl]-1-pyridin-3-ylpyrazol-5-yl]pyridine-3-carboxamide
CID 23143470
5-(5-chloro-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 69477331
N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 71205995
ethyl 5-(5-methylpyrazin-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143622
6-[3-(tert-butylcarbamoyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]pyridine-3-carboxylic acid
CID 23143483
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
N-tert-butyl-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329884
ethyl 5-(4-bromophenyl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143530

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide (CID 23143690) is N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2-c2cccnc2)nn1.
What is the InChIKey of N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is OMYLBRLFBZJCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-7-8-14(22-21-12)16-10-15(17(25)20-18(2,3)4)23-24(16)13-6-5-9-19-11-13/h5-11H,1-4H3,(H,20,25).
What are the key properties of N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide?
N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(6-methylpyridazin-3-yl)-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 23143690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).