3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide

C14H14N4O3 — CID 116793809

IUPAC3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide
SMILESCn1cc(OCc2c(C(=O)NN)oc3ccccc23)cn1
InChIInChI=1S/C14H14N4O3/c1-18-7-9(6-16-18)20-8-11-10-4-2-3-5-12(10)21-13(11)14(19)17-15/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyJUSUMGITOBMICT-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.35
Rot. Bonds4

About 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide

3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide (PubChem CID 116793809) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide
PubChem CID116793809
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide
SMILESCn1cc(OCc2c(C(=O)NN)oc3ccccc23)cn1
InChIInChI=1S/C14H14N4O3/c1-18-7-9(6-16-18)20-8-11-10-4-2-3-5-12(10)21-13(11)14(19)17-15/h2-7H,8,15H2,1H3,(H,17,19)
InChIKeyJUSUMGITOBMICT-UHFFFAOYSA-N
XLogP1.35
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide
CID 116793806
3-[(4-methylpyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63578332
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
3-[(4-chloropyrazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63579425
3-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-2-carbohydrazide
CID 63573735
N-(2-tert-butyl-5-methylpyrazol-3-yl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55727052
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 35337998
methyl 3-methyl-2-[[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]amino]pentanoate
CID 112791595

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide (CID 116793809) is 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide is Cn1cc(OCc2c(C(=O)NN)oc3ccccc23)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is JUSUMGITOBMICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-18-7-9(6-16-18)20-8-11-10-4-2-3-5-12(10)21-13(11)14(19)17-15/h2-7H,8,15H2,1H3,(H,17,19).
What are the key properties of 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide?
3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 286.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 116793809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).