3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide

C13H11ClN4O2 — CID 63579425

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1oc2ccccc2c1Cn1cc(Cl)cn1
InChIInChI=1S/C13H11ClN4O2/c14-8-5-16-18(6-8)7-10-9-3-1-2-4-11(9)20-12(10)13(19)17-15/h1-6H,7,15H2,(H,17,19)
InChIKeyXNSKNSHILCLVPV-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.93
Rot. Bonds3

About 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide

3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide (PubChem CID 63579425) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
PubChem CID63579425
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
SMILESNNC(=O)c1oc2ccccc2c1Cn1cc(Cl)cn1
InChIInChI=1S/C13H11ClN4O2/c14-8-5-16-18(6-8)7-10-9-3-1-2-4-11(9)20-12(10)13(19)17-15/h1-6H,7,15H2,(H,17,19)
InChIKeyXNSKNSHILCLVPV-UHFFFAOYSA-N
XLogP1.93
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide 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

3-[(4-methylpyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578332
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63573735
3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide
CID 116793809
3-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578144
2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 105352212
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
3-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63641106
3-[[bis(prop-2-enyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63571784
3-(2-chloroanilino)-1-benzofuran-2-carbohydrazide
CID 45141747
3-[[butan-2-yl(methyl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63574192
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63959061
3-(butan-2-ylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63580272

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide (CID 63579425) is 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide is NNC(=O)c1oc2ccccc2c1Cn1cc(Cl)cn1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is XNSKNSHILCLVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-8-5-16-18(6-8)7-10-9-3-1-2-4-11(9)20-12(10)13(19)17-15/h1-6H,7,15H2,(H,17,19).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide?
3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 290.71 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 63579425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).