N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide

C10H17N5O2 — CID 103121644

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(C)(C)/C(N)=N/O)n1
InChIInChI=1S/C10H17N5O2/c1-10(2,9(11)14-17)6-12-8(16)7-4-5-15(3)13-7/h4-5,17H,6H2,1-3H3,(H2,11,14)(H,12,16)
InChIKeyPPCUGXVWHVTYEO-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.08
Rot. Bonds4

About N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide

N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103121644) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide
PubChem CID103121644
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCC(C)(C)/C(N)=N/O)n1
InChIInChI=1S/C10H17N5O2/c1-10(2,9(11)14-17)6-12-8(16)7-4-5-15(3)13-7/h4-5,17H,6H2,1-3H3,(H2,11,14)(H,12,16)
InChIKeyPPCUGXVWHVTYEO-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'}

Analyze N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-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-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-1-methylpyrazole-3-carboxamide
CID 103121348
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methylpyrazole-3-carboxamide
CID 103121464
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811148
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide
CID 79778953
N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103944808
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
CID 105064330
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 103121322
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103121328
1-methylpyrazole-3-carboxamide
CID 13464586

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide (CID 103121644) is N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NCC(C)(C)/C(N)=N/O)n1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is PPCUGXVWHVTYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-10(2,9(11)14-17)6-12-8(16)7-4-5-15(3)13-7/h4-5,17H,6H2,1-3H3,(H2,11,14)(H,12,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide?
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-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-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103121644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).