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

C9H15N5O2 — CID 76983799

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N5O2/c1-2-5-14(6-8(10)13-16)9(15)7-3-4-11-12-7/h3-4,16H,2,5-6H2,1H3,(H2,10,13)(H,11,12)
InChIKeyLVSTUHJCOPFTNF-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.01
Rot. Bonds5

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

N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide (PubChem CID 76983799) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
PubChem CID76983799
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(CC(N)=NO)C(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N5O2/c1-2-5-14(6-8(10)13-16)9(15)7-3-4-11-12-7/h3-4,16H,2,5-6H2,1H3,(H2,10,13)(H,11,12)
InChIKeyLVSTUHJCOPFTNF-UHFFFAOYSA-N
XLogP0.01
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide (CID 76983799) is N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide is CCCN(CC(N)=NO)C(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide?
The InChIKey is LVSTUHJCOPFTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-5-14(6-8(10)13-16)9(15)7-3-4-11-12-7/h3-4,16H,2,5-6H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 76983799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).