N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

C11H19N5O2 — CID 77113147

IUPACN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C11H19N5O2/c1-5-16-8(6-7(2)14-16)9(17)13-11(3,4)10(12)15-18/h6,18H,5H2,1-4H3,(H2,12,15)(H,13,17)
InChIKeyWZKQJNRIWHKCBV-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.47
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 77113147) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID77113147
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(C)(C)C(N)=NO
InChIInChI=1S/C11H19N5O2/c1-5-16-8(6-7(2)14-16)9(17)13-11(3,4)10(12)15-18/h6,18H,5H2,1-4H3,(H2,12,15)(H,13,17)
InChIKeyWZKQJNRIWHKCBV-UHFFFAOYSA-N
XLogP0.47
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 77113220
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
N-(1-chloro-2-methylbutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114303846
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiourea
CID 66120897
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 103941002
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106356975
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273
N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 136559491

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 77113147) is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC(C)(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is WZKQJNRIWHKCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-5-16-8(6-7(2)14-16)9(17)13-11(3,4)10(12)15-18/h6,18H,5H2,1-4H3,(H2,12,15)(H,13,17).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 77113147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).