N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

C11H19N5O2 — CID 76928402

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C11H19N5O2/c1-6-9(7(2)16(5)13-6)11(17)15(4)8(3)10(12)14-18/h8,18H,1-5H3,(H2,12,14)
InChIKeyWRJGKZHXZHDZJW-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.24
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 76928402) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID76928402
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C11H19N5O2/c1-6-9(7(2)16(5)13-6)11(17)15(4)8(3)10(12)14-18/h8,18H,1-5H3,(H2,12,14)
InChIKeyWRJGKZHXZHDZJW-UHFFFAOYSA-N
XLogP0.24
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 76928402) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)C(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is WRJGKZHXZHDZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-6-9(7(2)16(5)13-6)11(17)15(4)8(3)10(12)14-18/h8,18H,1-5H3,(H2,12,14).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 76928402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).