4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide

C13H23N5O2 — CID 66124185

IUPAC4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)CC(=O)NC(C)(C)C)c1N
InChIInChI=1S/C13H23N5O2/c1-8-10(14)11(18(6)16-8)12(20)17(5)7-9(19)15-13(2,3)4/h7,14H2,1-6H3,(H,15,19)
InChIKeyDTSQTMHLUBMHOQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.30
Rot. Bonds3

About 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide (PubChem CID 66124185) 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]-N,1,3-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide
PubChem CID66124185
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)CC(=O)NC(C)(C)C)c1N
InChIInChI=1S/C13H23N5O2/c1-8-10(14)11(18(6)16-8)12(20)17(5)7-9(19)15-13(2,3)4/h7,14H2,1-6H3,(H,15,19)
InChIKeyDTSQTMHLUBMHOQ-UHFFFAOYSA-N
XLogP0.30
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate
CID 66121833
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30212742
4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
CID 66122221
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122417
4-amino-N-(cyclohexylmethyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125536
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65357964
4-amino-N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 66123007
4-amino-N-[(2,4-dimethylphenyl)methyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124561
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)amino]acetate
CID 66120847
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
4-amino-N-(2-ethoxy-2-methylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 114940346
4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124373

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide (CID 66124185) is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(C)CC(=O)NC(C)(C)C)c1N.
What is the InChIKey of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
The InChIKey is DTSQTMHLUBMHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-8-10(14)11(18(6)16-8)12(20)17(5)7-9(19)15-13(2,3)4/h7,14H2,1-6H3,(H,15,19).
What are the key properties of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide?
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,1,3-trimethylpyrazole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.30, 3 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]-N,1,3-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).