5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide

C11H13ClN4O2 — CID 931585

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1nn(Cc2ccc(C(=O)NN)o2)c(C)c1Cl
InChIInChI=1S/C11H13ClN4O2/c1-6-10(12)7(2)16(15-6)5-8-3-4-9(18-8)11(17)14-13/h3-4H,5,13H2,1-2H3,(H,14,17)
InChIKeyPEVTUFBRMDVHAE-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.40
Rot. Bonds3

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 931585) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID931585
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1nn(Cc2ccc(C(=O)NN)o2)c(C)c1Cl
InChIInChI=1S/C11H13ClN4O2/c1-6-10(12)7(2)16(15-6)5-8-3-4-9(18-8)11(17)14-13/h3-4H,5,13H2,1-2H3,(H,14,17)
InChIKeyPEVTUFBRMDVHAE-UHFFFAOYSA-N
XLogP1.40
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.40
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'}

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Related Compounds

5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(4-pyridinylmethylene)-2-furohydrazide
CID 6874517
5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbohydrazide
CID 3644900
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
methyl 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoate
CID 674802
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 840891
5-((4-Chloro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 921549
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[(phenylamino)methyl]furan-2-carbohydrazide
CID 6886420
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)-2-furamide
CID 994876

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide (CID 931585) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide is Cc1nn(Cc2ccc(C(=O)NN)o2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is PEVTUFBRMDVHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-6-10(12)7(2)16(15-6)5-8-3-4-9(18-8)11(17)14-13/h3-4H,5,13H2,1-2H3,(H,14,17).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 268.70 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 931585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).