4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide

C12H21N5O2 — CID 65358750

IUPAC4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1c(N)cnn1CC
InChIInChI=1S/C12H21N5O2/c1-4-6-16(8-10(18)14-3)12(19)11-9(13)7-15-17(11)5-2/h7H,4-6,8,13H2,1-3H3,(H,14,18)
InChIKeyHFKCYMWEJGTSEU-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.08
Rot. Bonds6

About 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide

4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide (PubChem CID 65358750) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide
PubChem CID65358750
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1c(N)cnn1CC
InChIInChI=1S/C12H21N5O2/c1-4-6-16(8-10(18)14-3)12(19)11-9(13)7-15-17(11)5-2/h7H,4-6,8,13H2,1-3H3,(H,14,18)
InChIKeyHFKCYMWEJGTSEU-UHFFFAOYSA-N
XLogP0.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide (CID 65358750) is 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide is CCCN(CC(=O)NC)C(=O)c1c(N)cnn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide?
The InChIKey is HFKCYMWEJGTSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-6-16(8-10(18)14-3)12(19)11-9(13)7-15-17(11)5-2/h7H,4-6,8,13H2,1-3H3,(H,14,18).
What are the key properties of 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(methylamino)-2-oxoethyl]-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 65358750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).