4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide

C13H23N5O2 — CID 65357964

IUPAC4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C13H23N5O2/c1-6-18-7-9(14)11(16-18)12(20)17(5)8-10(19)15-13(2,3)4/h7H,6,8,14H2,1-5H3,(H,15,19)
InChIKeyQGHPNXUBOPRPAS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.47
Rot. Bonds4

About 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 65357964) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID65357964
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C13H23N5O2/c1-6-18-7-9(14)11(16-18)12(20)17(5)8-10(19)15-13(2,3)4/h7H,6,8,14H2,1-5H3,(H,15,19)
InChIKeyQGHPNXUBOPRPAS-UHFFFAOYSA-N
XLogP0.47
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 65357964) is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)CC(=O)NC(C)(C)C)n1.
What is the InChIKey of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is QGHPNXUBOPRPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-6-18-7-9(14)11(16-18)12(20)17(5)8-10(19)15-13(2,3)4/h7H,6,8,14H2,1-5H3,(H,15,19).
What are the key properties of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65357964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).