N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide

C16H25N5O — CID 137380211

IUPACN-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide
SMILESCCN(C(=O)C1=CNN(C(C)C(C)C)C1C)c1ccnnc1
InChIInChI=1S/C16H25N5O/c1-6-20(14-7-8-17-18-9-14)16(22)15-10-19-21(13(15)5)12(4)11(2)3/h7-13,19H,6H2,1-5H3
InChIKeyIPPJRPSUFGOKIM-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.97
Rot. Bonds5

About N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide

N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide (PubChem CID 137380211) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide
PubChem CID137380211
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide
SMILESCCN(C(=O)C1=CNN(C(C)C(C)C)C1C)c1ccnnc1
InChIInChI=1S/C16H25N5O/c1-6-20(14-7-8-17-18-9-14)16(22)15-10-19-21(13(15)5)12(4)11(2)3/h7-13,19H,6H2,1-5H3
InChIKeyIPPJRPSUFGOKIM-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide?
The IUPAC name of N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide (CID 137380211) is N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide is CCN(C(=O)C1=CNN(C(C)C(C)C)C1C)c1ccnnc1.
What is the InChIKey of N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide?
The InChIKey is IPPJRPSUFGOKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-6-20(14-7-8-17-18-9-14)16(22)15-10-19-21(13(15)5)12(4)11(2)3/h7-13,19H,6H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide?
N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-(3-methylbutan-2-yl)-N-pyridazin-4-yl-1,3-dihydropyrazole-4-carboxamide is sourced from PubChem (CID 137380211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).