N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide

C15H19N5O2 — CID 118030337

IUPACN-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(C2CCC2O)c1C)c1ccnnc1
InChIInChI=1S/C15H19N5O2/c1-3-19(11-6-7-16-17-8-11)15(22)12-9-18-20(10(12)2)13-4-5-14(13)21/h6-9,13-14,21H,3-5H2,1-2H3
InChIKeyMBQACJVUEVBUSZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.34
Rot. Bonds4

About N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide

N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 118030337) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID118030337
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(C2CCC2O)c1C)c1ccnnc1
InChIInChI=1S/C15H19N5O2/c1-3-19(11-6-7-16-17-8-11)15(22)12-9-18-20(10(12)2)13-4-5-14(13)21/h6-9,13-14,21H,3-5H2,1-2H3
InChIKeyMBQACJVUEVBUSZ-UHFFFAOYSA-N
XLogP1.34
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 118030337) is N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide is CCN(C(=O)c1cnn(C2CCC2O)c1C)c1ccnnc1.
What is the InChIKey of N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is MBQACJVUEVBUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-19(11-6-7-16-17-8-11)15(22)12-9-18-20(10(12)2)13-4-5-14(13)21/h6-9,13-14,21H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-hydroxycyclobutyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 118030337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).