N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide

C7H11N5O2 — CID 77042461

IUPACN-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(N)=NO
InChIInChI=1S/C7H11N5O2/c1-4-5(2-10-11-4)7(13)9-3-6(8)12-14/h2,14H,3H2,1H3,(H2,8,12)(H,9,13)(H,10,11)
InChIKeyORKVVKBOIGCVRC-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.81
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 77042461) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID77042461
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(N)=NO
InChIInChI=1S/C7H11N5O2/c1-4-5(2-10-11-4)7(13)9-3-6(8)12-14/h2,14H,3H2,1H3,(H2,8,12)(H,9,13)(H,10,11)
InChIKeyORKVVKBOIGCVRC-UHFFFAOYSA-N
XLogP-0.81
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.81
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-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77037575
5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 63934294
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671942
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042436
N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 62307907
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
CID 79676894
N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 77042450

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 77042461) is N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC(N)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is ORKVVKBOIGCVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-4-5(2-10-11-4)7(13)9-3-6(8)12-14/h2,14H,3H2,1H3,(H2,8,12)(H,9,13)(H,10,11).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 197.20 g/mol, XLogP of -0.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77042461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).