(5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride

C4H3Cl2N3O — CID 136959633

IUPAC(5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride
SMILESO/N=C(\Cl)c1[nH]ncc1Cl
InChIInChI=1S/C4H3Cl2N3O/c5-2-1-7-8-3(2)4(6)9-10/h1,10H,(H,7,8)/b9-4-
InChIKeyCKRQDTOJCAWYLE-WTKPLQERSA-N
MW179.99 g/mol
LogP1.44
Rot. Bonds1

About (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride

(5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride (PubChem CID 136959633) has the molecular formula C4H3Cl2N3O and a molecular weight of 179.99 g/mol. Its IUPAC name is (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride.

Molecular Properties

Compound Name(5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride
PubChem CID136959633
Molecular FormulaC4H3Cl2N3O
Molecular Weight179.99 g/mol
Exact Mass178.97
IUPAC Name(5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride
SMILESO/N=C(\Cl)c1[nH]ncc1Cl
InChIInChI=1S/C4H3Cl2N3O/c5-2-1-7-8-3(2)4(6)9-10/h1,10H,(H,7,8)/b9-4-
InChIKeyCKRQDTOJCAWYLE-WTKPLQERSA-N
XLogP1.44
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.99
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride?
The IUPAC name of (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride (CID 136959633) is (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride.
What is the SMILES notation for (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride?
The canonical SMILES for (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride is O/N=C(\Cl)c1[nH]ncc1Cl.
What is the InChIKey of (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride?
The InChIKey is CKRQDTOJCAWYLE-WTKPLQERSA-N. The full InChI is InChI=1S/C4H3Cl2N3O/c5-2-1-7-8-3(2)4(6)9-10/h1,10H,(H,7,8)/b9-4-.
What are the key properties of (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride?
(5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride has a molecular weight of 179.99 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-chloro-N-hydroxy-1H-pyrazole-5-carboximidoyl chloride is sourced from PubChem (CID 136959633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).