N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide

C8H12N4O3 — CID 103901265

IUPACN-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NOCC(N)=O
InChIInChI=1S/C8H12N4O3/c1-5-6(3-12(2)10-5)8(14)11-15-4-7(9)13/h3H,4H2,1-2H3,(H2,9,13)(H,11,14)
InChIKeyUQIYSXRRHYLSQP-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.12
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide

N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 103901265) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID103901265
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC NameN-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NOCC(N)=O
InChIInChI=1S/C8H12N4O3/c1-5-6(3-12(2)10-5)8(14)11-15-4-7(9)13/h3H,4H2,1-2H3,(H2,9,13)(H,11,14)
InChIKeyUQIYSXRRHYLSQP-UHFFFAOYSA-N
XLogP-1.12
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 847285
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1,3-dimethyl-1H-pyrazole-4-carbohydrazide
CID 4188482
1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
CID 6401375
1-Isopropyl-3-methyl-1H-pyrazole-4-carbaldehyde
CID 19620085
3-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 19620841
1,3-dimethyl-1H-pyrazole-4-carbohydrazide hydrochloride
CID 145867203
N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
2,5-Dimethyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
CID 339180
N-(3-ethoxypropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474152

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide (CID 103901265) is N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is UQIYSXRRHYLSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5-6(3-12(2)10-5)8(14)11-15-4-7(9)13/h3H,4H2,1-2H3,(H2,9,13)(H,11,14).
What are the key properties of N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103901265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).