N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide

C11H19N5O2 — CID 77113223

IUPACN-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCCC(N)=NO
InChIInChI=1S/C11H19N5O2/c1-3-16-9(7-8(2)14-16)11(17)13-6-4-5-10(12)15-18/h7,18H,3-6H2,1-2H3,(H2,12,15)(H,13,17)
InChIKeySKFZURLWIXCFMW-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.47
Rot. Bonds6

About N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 77113223) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID77113223
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCCC(N)=NO
InChIInChI=1S/C11H19N5O2/c1-3-16-9(7-8(2)14-16)11(17)13-6-4-5-10(12)15-18/h7,18H,3-6H2,1-2H3,(H2,12,15)(H,13,17)
InChIKeySKFZURLWIXCFMW-UHFFFAOYSA-N
XLogP0.47
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
CID 77112141
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66122444
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113147
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide
CID 103511904
[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiourea
CID 66120897

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 77113223) is N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCCCC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is SKFZURLWIXCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-16-9(7-8(2)14-16)11(17)13-6-4-5-10(12)15-18/h7,18H,3-6H2,1-2H3,(H2,12,15)(H,13,17).
What are the key properties of N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 77113223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).