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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Related Compounds

4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 65357049
4-amino-N-cyclopropyl-N,1-diethylpyrazole-5-carboxamide
CID 65357045
4-amino-3,5-dichloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 82833354
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 61041491
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61138545
4-amino-N-methyl-1-propylpyrazole-5-carboxamide
CID 132586626
4-amino-1-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-5-carboxamide
CID 65357392
4-amino-1-ethyl-N-(4-ethylcyclohexyl)-N-methylpyrazole-5-carboxamide
CID 65358607
S-methyl 4-amino-1-ethylpyrazole-5-carbothioate
CID 117219174
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 65357102
4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide
CID 65357016

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).