(3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C8H13N5O2 — CID 55149233

IUPAC(3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C/C(N)=N/O
InChIInChI=1S/C8H13N5O2/c1-5-6(4-11-12-5)3-10-8(14)2-7(9)13-15/h4,15H,2-3H2,1H3,(H2,9,13)(H,10,14)(H,11,12)
InChIKeyIWSVXGHLHSAHQF-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.53
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

(3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 55149233) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID55149233
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C/C(N)=N/O
InChIInChI=1S/C8H13N5O2/c1-5-6(4-11-12-5)3-10-8(14)2-7(9)13-15/h4,15H,2-3H2,1H3,(H2,9,13)(H,10,14)(H,11,12)
InChIKeyIWSVXGHLHSAHQF-UHFFFAOYSA-N
XLogP-0.53
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.53
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 55149233) is (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is IWSVXGHLHSAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5-6(4-11-12-5)3-10-8(14)2-7(9)13-15/h4,15H,2-3H2,1H3,(H2,9,13)(H,10,14)(H,11,12).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 211.22 g/mol, XLogP of -0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 55149233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).