3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide

C13H24N4O — CID 61438034

IUPAC3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C13H24N4O/c1-5-10(6-2)8-17(7-3)13(18)11-9(4)15-16-12(11)14/h10H,5-8H2,1-4H3,(H3,14,15,16)
InChIKeyBDBQZGXBQIYDKM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.20
Rot. Bonds6

About 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide

3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 61438034) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID61438034
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(CC)CN(CC)C(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C13H24N4O/c1-5-10(6-2)8-17(7-3)13(18)11-9(4)15-16-12(11)14/h10H,5-8H2,1-4H3,(H3,14,15,16)
InChIKeyBDBQZGXBQIYDKM-UHFFFAOYSA-N
XLogP2.20
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 61438034) is 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide is CCC(CC)CN(CC)C(=O)c1c(N)n[nH]c1C.
What is the InChIKey of 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is BDBQZGXBQIYDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10(6-2)8-17(7-3)13(18)11-9(4)15-16-12(11)14/h10H,5-8H2,1-4H3,(H3,14,15,16).
What are the key properties of 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2-ethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61438034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).