N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

C10H17N5O2 — CID 77042436

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C10H17N5O2/c1-5(2)8(9(11)15-17)13-10(16)7-4-12-14-6(7)3/h4-5,8,17H,1-3H3,(H2,11,15)(H,12,14)(H,13,16)
InChIKeyFWHSERDDWKWVOY-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.22
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 77042436) 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)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID77042436
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C10H17N5O2/c1-5(2)8(9(11)15-17)13-10(16)7-4-12-14-6(7)3/h4-5,8,17H,1-3H3,(H2,11,15)(H,12,14)(H,13,16)
InChIKeyFWHSERDDWKWVOY-UHFFFAOYSA-N
XLogP0.22
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65191454
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 115664810
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135153
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042461
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-(1-bromopropan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114310722
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
N-(1-chloro-4-methylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106354631
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106357237
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 77039167
N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77037575
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-bromopyridine-2-carboxamide
CID 77038852

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (CID 77042436) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC(C(N)=NO)C(C)C.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is FWHSERDDWKWVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-5(2)8(9(11)15-17)13-10(16)7-4-12-14-6(7)3/h4-5,8,17H,1-3H3,(H2,11,15)(H,12,14)(H,13,16).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77042436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).