5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide

C10H17N5O2 — CID 104928029

IUPAC5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C10H17N5O2/c1-4-14(2)8(16)6-12-10(17)7-5-13-15(3)9(7)11/h5H,4,6,11H2,1-3H3,(H,12,17)
InChIKeyBPZYXTCUPGFQGU-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.79
Rot. Bonds4

About 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 104928029) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
PubChem CID104928029
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)CNC(=O)c1cnn(C)c1N
InChIInChI=1S/C10H17N5O2/c1-4-14(2)8(16)6-12-10(17)7-5-13-15(3)9(7)11/h5H,4,6,11H2,1-3H3,(H,12,17)
InChIKeyBPZYXTCUPGFQGU-UHFFFAOYSA-N
XLogP-0.79
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-cyclohexylacetamide
CID 3245013
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N,N-dimethylpropanamide
CID 155523485
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 155548362
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
1-(tert-butyl)-5-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 7118691
1-Propanoyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412639

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide (CID 104928029) is 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide is CCN(C)C(=O)CNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is BPZYXTCUPGFQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-4-14(2)8(16)6-12-10(17)7-5-13-15(3)9(7)11/h5H,4,6,11H2,1-3H3,(H,12,17).
What are the key properties of 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104928029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).