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

C9H15N5O2 — CID 77037575

IUPACN-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCCCC(N)=NO
InChIInChI=1S/C9H15N5O2/c1-6-7(5-12-13-6)9(15)11-4-2-3-8(10)14-16/h5,16H,2-4H2,1H3,(H2,10,14)(H,11,15)(H,12,13)
InChIKeyOEYOYVJFQIOGTD-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.03
Rot. Bonds5

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

N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 77037575) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID77037575
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCCCC(N)=NO
InChIInChI=1S/C9H15N5O2/c1-6-7(5-12-13-6)9(15)11-4-2-3-8(10)14-16/h5,16H,2-4H2,1H3,(H2,10,14)(H,11,15)(H,12,13)
InChIKeyOEYOYVJFQIOGTD-UHFFFAOYSA-N
XLogP-0.03
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-amino-2-hydroxyiminoethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042461
N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
5-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 62307907
N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
CID 81443542
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-[3-(cyclopropylmethoxy)propyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 47078276
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
2-[2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 79457991
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 77037575) is N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCCCC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is OEYOYVJFQIOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6-7(5-12-13-6)9(15)11-4-2-3-8(10)14-16/h5,16H,2-4H2,1H3,(H2,10,14)(H,11,15)(H,12,13).
What are the key properties of N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77037575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).