3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole

C7H7BrN4O — CID 61029217

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C7H7BrN4O/c1-5-10-7(11-13-5)4-12-3-6(8)2-9-12/h2-3H,4H2,1H3
InChIKeyXFVRSRNUDOERTR-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.39
Rot. Bonds2

About 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole

3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 61029217) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID61029217
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C7H7BrN4O/c1-5-10-7(11-13-5)4-12-3-6(8)2-9-12/h2-3H,4H2,1H3
InChIKeyXFVRSRNUDOERTR-UHFFFAOYSA-N
XLogP1.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole 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

5-Ethyl-3-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53597774
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53626016
5-Methyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72141415
N-(2-aminoethyl)-3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027143
3-[(4-Bromopyrazol-1-yl)methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 72020316
5-[(4-Iodopyrazol-1-yl)methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72130222
3-(1-Methylpyrazol-4-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 146601923
5-[(4-Iodopyrazol-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 72130199
3-[[3-Bromo-4-(trifluoromethyl)pyrazol-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 126837508
3-[1-(2-Fluoroethyl)pyrazol-4-yl]-5-methyl-1,2,4-oxadiazole
CID 137957234
5-(2-Fluoropropan-2-yl)-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 167926591
1-(1-isopropyl-1H-pyrazol-4-yl)-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56715316

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole (CID 61029217) is 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is XFVRSRNUDOERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c1-5-10-7(11-13-5)4-12-3-6(8)2-9-12/h2-3H,4H2,1H3.
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 243.06 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 61029217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).