3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

C8H8ClN5O2 — CID 16763673

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2cc(Cl)cn2)no1
InChIInChI=1S/C8H8ClN5O2/c1-10-7(15)8-12-6(13-16-8)4-14-3-5(9)2-11-14/h2-3H,4H2,1H3,(H,10,15)
InChIKeyQDURACGNNVLONK-UHFFFAOYSA-N
MW241.64 g/mol
LogP0.33
Rot. Bonds3

About 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 16763673) has the molecular formula C8H8ClN5O2 and a molecular weight of 241.64 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID16763673
Molecular FormulaC8H8ClN5O2
Molecular Weight241.64 g/mol
Exact Mass241.04
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2cc(Cl)cn2)no1
InChIInChI=1S/C8H8ClN5O2/c1-10-7(15)8-12-6(13-16-8)4-14-3-5(9)2-11-14/h2-3H,4H2,1H3,(H,10,15)
InChIKeyQDURACGNNVLONK-UHFFFAOYSA-N
XLogP0.33
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
N-(2-aminoethyl)-3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027143
N-(2-aminoethyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027145
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53618403
N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-methyl-1H-pyrazol-1-yl)propanamide
CID 91842632
N-((3-(1-ethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 121195122
N-{[3-(1-ethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperazine-1-carboxamide
CID 121195144
(2S)-2-(4-chloropyrazol-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]propanamide
CID 164642888
2,2,2-trifluoro-N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79257780
5-[(4-Chloropyrazol-1-yl)methyl]-3-[1-(2-fluoroethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 138020834
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 16763697
2-(4-chloro-1H-pyrazol-1-yl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpropanamide
CID 56872103

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 16763673) is 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(Cn2cc(Cl)cn2)no1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is QDURACGNNVLONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2/c1-10-7(15)8-12-6(13-16-8)4-14-3-5(9)2-11-14/h2-3H,4H2,1H3,(H,10,15).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 241.64 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 16763673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).