4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide

C13H24N4O — CID 79476986

IUPAC4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C13H24N4O/c1-5-10(4)8-16(6-2)13(18)12-11(14)9-17(7-3)15-12/h9-10H,5-8,14H2,1-4H3
InChIKeyJKWGWPWCZLOHMV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.99
Rot. Bonds6

About 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide

4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide (PubChem CID 79476986) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide
PubChem CID79476986
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C13H24N4O/c1-5-10(4)8-16(6-2)13(18)12-11(14)9-17(7-3)15-12/h9-10H,5-8,14H2,1-4H3
InChIKeyJKWGWPWCZLOHMV-UHFFFAOYSA-N
XLogP1.99
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide (CID 79476986) is 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide is CCC(C)CN(CC)C(=O)c1nn(CC)cc1N.
What is the InChIKey of 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide?
The InChIKey is JKWGWPWCZLOHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10(4)8-16(6-2)13(18)12-11(14)9-17(7-3)15-12/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide?
4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-diethyl-N-(2-methylbutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 79476986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).