3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide

C11H19N5O3 — CID 76921677

IUPAC3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOCCn1cc(NC(=O)C(C)(C)C(N)=NO)cn1
InChIInChI=1S/C11H19N5O3/c1-11(2,9(12)15-18)10(17)14-8-6-13-16(7-8)4-5-19-3/h6-7,18H,4-5H2,1-3H3,(H2,12,15)(H,14,17)
InChIKeyUEYKUBNIJFDNMD-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.24
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide

3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 76921677) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
PubChem CID76921677
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC Name3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOCCn1cc(NC(=O)C(C)(C)C(N)=NO)cn1
InChIInChI=1S/C11H19N5O3/c1-11(2,9(12)15-18)10(17)14-8-6-13-16(7-8)4-5-19-3/h6-7,18H,4-5H2,1-3H3,(H2,12,15)(H,14,17)
InChIKeyUEYKUBNIJFDNMD-UHFFFAOYSA-N
XLogP0.24
TPSA114.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 80597322
2-(N'-hydroxycarbamimidoyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide
CID 76926717
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617567
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83034554
tert-butyl N-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]ethyl]carbamate
CID 115735732
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide (CID 76921677) is 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide is COCCn1cc(NC(=O)C(C)(C)C(N)=NO)cn1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is UEYKUBNIJFDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-11(2,9(12)15-18)10(17)14-8-6-13-16(7-8)4-5-19-3/h6-7,18H,4-5H2,1-3H3,(H2,12,15)(H,14,17).
What are the key properties of 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide?
3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 269.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 76921677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).