N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide

C10H17N5O2 — CID 77039413

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccnn1C)C(N)=NO
InChIInChI=1S/C10H17N5O2/c1-6(2)8(9(11)14-17)13-10(16)7-4-5-12-15(7)3/h4-6,8,17H,1-3H3,(H2,11,14)(H,13,16)
InChIKeyBEHBNUXIKCEXPR-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.08
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 77039413) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID77039413
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccnn1C)C(N)=NO
InChIInChI=1S/C10H17N5O2/c1-6(2)8(9(11)14-17)13-10(16)7-4-5-12-15(7)3/h4-6,8,17H,1-3H3,(H2,11,14)(H,13,16)
InChIKeyBEHBNUXIKCEXPR-UHFFFAOYSA-N
XLogP-0.08
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.08
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

tert-butyl (2S)-3-methyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 80707602
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
(2S)-3,3-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 61143265
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
CID 63755943
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135153
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 77039167
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 62920120
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide
CID 77039223

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide (CID 77039413) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide is CC(C)C(NC(=O)c1ccnn1C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is BEHBNUXIKCEXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(2)8(9(11)14-17)13-10(16)7-4-5-12-15(7)3/h4-6,8,17H,1-3H3,(H2,11,14)(H,13,16).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.08, 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-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 77039413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).