N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide

C9H15N5O2 — CID 77112141

IUPACN-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(N)=NO)n(C)n1
InChIInChI=1S/C9H15N5O2/c1-6-5-7(14(2)12-6)9(15)11-4-3-8(10)13-16/h5,16H,3-4H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyGWNBCXWNXRCCHT-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.41
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 77112141) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID77112141
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(N)=NO)n(C)n1
InChIInChI=1S/C9H15N5O2/c1-6-5-7(14(2)12-6)9(15)11-4-3-8(10)13-16/h5,16H,3-4H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyGWNBCXWNXRCCHT-UHFFFAOYSA-N
XLogP-0.41
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.41
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-hydroxyiminopropyl)-2,5-dimethylpyrazole-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-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
ethyl 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butanoate
CID 61039145
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76952846
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methylpyrazole-3-carboxamide
CID 103121464
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
2-[2-[(2,5-dimethylpyrazole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242434
N-(4-amino-4-hydroxyiminobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 76952772
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
N-[2-(2-chloroethoxy)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114297735
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide (CID 77112141) is N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCC(N)=NO)n(C)n1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is GWNBCXWNXRCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6-5-7(14(2)12-6)9(15)11-4-3-8(10)13-16/h5,16H,3-4H2,1-2H3,(H2,10,13)(H,11,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.41, 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-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 77112141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).