4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide

C12H22N4O — CID 65357697

IUPAC4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)CCC(C)C
InChIInChI=1S/C12H22N4O/c1-5-16-11(10(13)8-14-16)12(17)15(4)7-6-9(2)3/h8-9H,5-7,13H2,1-4H3
InChIKeyBRIVGJHOOJFEQU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.60
Rot. Bonds5

About 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide (PubChem CID 65357697) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
PubChem CID65357697
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)CCC(C)C
InChIInChI=1S/C12H22N4O/c1-5-16-11(10(13)8-14-16)12(17)15(4)7-6-9(2)3/h8-9H,5-7,13H2,1-4H3
InChIKeyBRIVGJHOOJFEQU-UHFFFAOYSA-N
XLogP1.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide (CID 65357697) is 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)N(C)CCC(C)C.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide?
The InChIKey is BRIVGJHOOJFEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-16-11(10(13)8-14-16)12(17)15(4)7-6-9(2)3/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65357697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).