5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide

C12H15BrN4O2 — CID 63577257

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(Cn2nc(C)c(Br)c2C)oc1C(=O)NN
InChIInChI=1S/C12H15BrN4O2/c1-6-4-9(19-11(6)12(18)15-14)5-17-8(3)10(13)7(2)16-17/h4H,5,14H2,1-3H3,(H,15,18)
InChIKeyFNAIWFPPRYZERF-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.82
Rot. Bonds3

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

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63577257) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID63577257
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(Cn2nc(C)c(Br)c2C)oc1C(=O)NN
InChIInChI=1S/C12H15BrN4O2/c1-6-4-9(19-11(6)12(18)15-14)5-17-8(3)10(13)7(2)16-17/h4H,5,14H2,1-3H3,(H,15,18)
InChIKeyFNAIWFPPRYZERF-UHFFFAOYSA-N
XLogP1.82
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.82
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

3-methyl-5-[(3-methyl-6-oxopyridazin-1-yl)methyl]furan-2-carbohydrazide
CID 63581869
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62448437
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 61238146
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343
3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 114540671
4-bromo-3,5-dimethyl-1-[(5-methylfuran-2-yl)methyl]pyrazole
CID 62129091
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19454922
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63571845
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-carboxamide
CID 19456583

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide (CID 63577257) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(Cn2nc(C)c(Br)c2C)oc1C(=O)NN.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is FNAIWFPPRYZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-6-4-9(19-11(6)12(18)15-14)5-17-8(3)10(13)7(2)16-17/h4H,5,14H2,1-3H3,(H,15,18).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 327.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63577257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).