N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide

C13H23N3O2 — CID 66120277

IUPACN-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(C)nn1CC
InChIInChI=1S/C13H23N3O2/c1-4-6-7-15(8-9-17)13(18)12-10-11(3)14-16(12)5-2/h10,17H,4-9H2,1-3H3
InChIKeyVLMGYJIYRRHWTA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.45
Rot. Bonds7

About N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide

N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide (PubChem CID 66120277) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
PubChem CID66120277
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(C)nn1CC
InChIInChI=1S/C13H23N3O2/c1-4-6-7-15(8-9-17)13(18)12-10-11(3)14-16(12)5-2/h10,17H,4-9H2,1-3H3
InChIKeyVLMGYJIYRRHWTA-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide (CID 66120277) is N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide is CCCCN(CCO)C(=O)c1cc(C)nn1CC.
What is the InChIKey of N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is VLMGYJIYRRHWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-7-15(8-9-17)13(18)12-10-11(3)14-16(12)5-2/h10,17H,4-9H2,1-3H3.
What are the key properties of N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide?
N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66120277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).