N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide

C12H21N5O2 — CID 77113220

IUPACN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)(C)C(N)=NO)n(CC)n1
InChIInChI=1S/C12H21N5O2/c1-5-8-7-9(17(6-2)15-8)10(18)14-12(3,4)11(13)16-19/h7,19H,5-6H2,1-4H3,(H2,13,16)(H,14,18)
InChIKeyYFHKJTNKEWOABW-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.72
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 77113220) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID77113220
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)(C)C(N)=NO)n(CC)n1
InChIInChI=1S/C12H21N5O2/c1-5-8-7-9(17(6-2)15-8)10(18)14-12(3,4)11(13)16-19/h7,19H,5-6H2,1-4H3,(H2,13,16)(H,14,18)
InChIKeyYFHKJTNKEWOABW-UHFFFAOYSA-N
XLogP0.72
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.72
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'}

Analyze N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide (CID 77113220) is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)(C)C(N)=NO)n(CC)n1.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is YFHKJTNKEWOABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-8-7-9(17(6-2)15-8)10(18)14-12(3,4)11(13)16-19/h7,19H,5-6H2,1-4H3,(H2,13,16)(H,14,18).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.72, 5 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)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 77113220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).