(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride

C7H10ClN3O — CID 136827782

IUPAC(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride
SMILESCCCn1nccc1/C(Cl)=N/O
InChIInChI=1S/C7H10ClN3O/c1-2-5-11-6(3-4-9-11)7(8)10-12/h3-4,12H,2,5H2,1H3/b10-7-
InChIKeyWLCARNFAFCTVLL-YFHOEESVSA-N
MW187.63 g/mol
LogP1.67
Rot. Bonds3

About (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride

(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride (PubChem CID 136827782) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride.

Molecular Properties

Compound Name(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride
PubChem CID136827782
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride
SMILESCCCn1nccc1/C(Cl)=N/O
InChIInChI=1S/C7H10ClN3O/c1-2-5-11-6(3-4-9-11)7(8)10-12/h3-4,12H,2,5H2,1H3/b10-7-
InChIKeyWLCARNFAFCTVLL-YFHOEESVSA-N
XLogP1.67
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-propylpyrazole-3-carboxylic acid
CID 7017775
2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63975698
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 39855081
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
3-bicyclo[3.1.0]hexanyl-(2-propylpyrazol-3-yl)methanone
CID 114972285
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030
2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 114972349
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride?
The IUPAC name of (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride (CID 136827782) is (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride.
What is the SMILES notation for (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride?
The canonical SMILES for (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride is CCCn1nccc1/C(Cl)=N/O.
What is the InChIKey of (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride?
The InChIKey is WLCARNFAFCTVLL-YFHOEESVSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-2-5-11-6(3-4-9-11)7(8)10-12/h3-4,12H,2,5H2,1H3/b10-7-.
What are the key properties of (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride?
(3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride has a molecular weight of 187.63 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-hydroxy-2-propylpyrazole-3-carboximidoyl chloride is sourced from PubChem (CID 136827782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).