N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide

C10H17N5O2 — CID 102802153

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC(C)C(N)=NO
InChIInChI=1S/C10H17N5O2/c1-6(9(11)14-17)4-12-10(16)8-5-15(3)13-7(8)2/h5-6,17H,4H2,1-3H3,(H2,11,14)(H,12,16)
InChIKeyOTCAJTFALYHFGG-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.16
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102802153) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102802153
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCC(C)C(N)=NO
InChIInChI=1S/C10H17N5O2/c1-6(9(11)14-17)4-12-10(16)8-5-15(3)13-7(8)2/h5-6,17H,4H2,1-3H3,(H2,11,14)(H,12,16)
InChIKeyOTCAJTFALYHFGG-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
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-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 76952766
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 102801287
(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607
N-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
N-(2-amino-3-ethylpentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 114168450
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
CID 76952616
N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802127
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 113358295
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide
CID 82772683
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
CID 107677312
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826
3-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 102801321

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide (CID 102802153) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCC(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is OTCAJTFALYHFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(9(11)14-17)4-12-10(16)8-5-15(3)13-7(8)2/h5-6,17H,4H2,1-3H3,(H2,11,14)(H,12,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102802153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).