4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide

C13H23N5O2 — CID 66123685

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C13H23N5O2/c1-4-6-7-17(8-10(14)19)13(20)12-11(15)9(3)16-18(12)5-2/h4-8,15H2,1-3H3,(H2,14,19)
InChIKeyOKTQEVJFFJQRKI-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.52
Rot. Bonds7

About 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 66123685) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID66123685
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1c(N)c(C)nn1CC
InChIInChI=1S/C13H23N5O2/c1-4-6-7-17(8-10(14)19)13(20)12-11(15)9(3)16-18(12)5-2/h4-8,15H2,1-3H3,(H2,14,19)
InChIKeyOKTQEVJFFJQRKI-UHFFFAOYSA-N
XLogP0.52
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-3-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 66123658
4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66123112
4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide
CID 66124652
4-amino-1-ethyl-N-(1-hydroxypropan-2-yl)-N,3-dimethylpyrazole-5-carboxamide
CID 104550920
4-amino-1-ethyl-N,3-dimethyl-N-phenylpyrazole-5-carboxamide
CID 66123079
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide
CID 66125449
4-amino-1-ethyl-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 66123490
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)acetamide
CID 61110124
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 113288554
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66125071
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
4-amino-1-ethyl-3-methyl-N-(3-propoxypropyl)pyrazole-5-carboxamide
CID 82950007

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide (CID 66123685) is 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide is CCCCN(CC(N)=O)C(=O)c1c(N)c(C)nn1CC.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is OKTQEVJFFJQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-6-7-17(8-10(14)19)13(20)12-11(15)9(3)16-18(12)5-2/h4-8,15H2,1-3H3,(H2,14,19).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66123685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).