4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

C12H21N5O2 — CID 66123561

IUPAC4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CC(N)=O)C(C)C)c1N
InChIInChI=1S/C12H21N5O2/c1-5-8-10(14)11(16(4)15-8)12(19)17(7(2)3)6-9(13)18/h7H,5-6,14H2,1-4H3,(H2,13,18)
InChIKeyJUAUUJDGYHSLJQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.10
Rot. Bonds5

About 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 66123561) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID66123561
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CC(N)=O)C(C)C)c1N
InChIInChI=1S/C12H21N5O2/c1-5-8-10(14)11(16(4)15-8)12(19)17(7(2)3)6-9(13)18/h7H,5-6,14H2,1-4H3,(H2,13,18)
InChIKeyJUAUUJDGYHSLJQ-UHFFFAOYSA-N
XLogP-0.10
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 66125494
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide
CID 66016997
4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66116761
4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66119287
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125502
4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 66125119
4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66122803
5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 113288547
4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115405271
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
CID 106006154

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide (CID 66123561) is 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(CC(N)=O)C(C)C)c1N.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is JUAUUJDGYHSLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-8-10(14)11(16(4)15-8)12(19)17(7(2)3)6-9(13)18/h7H,5-6,14H2,1-4H3,(H2,13,18).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.10, 5 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)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 66123561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).