2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole

C7H7ClN4O — CID 135969130

IUPAC2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2cn[nH]c2)o1
InChIInChI=1S/C7H7ClN4O/c8-2-1-6-11-12-7(13-6)5-3-9-10-4-5/h3-4H,1-2H2,(H,9,10)
InChIKeyKFPVTGQPVBEZMW-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.24
Rot. Bonds3

About 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole (PubChem CID 135969130) has the molecular formula C7H7ClN4O and a molecular weight of 198.61 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
PubChem CID135969130
Molecular FormulaC7H7ClN4O
Molecular Weight198.61 g/mol
Exact Mass198.03
IUPAC Name2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
SMILESClCCc1nnc(-c2cn[nH]c2)o1
InChIInChI=1S/C7H7ClN4O/c8-2-1-6-11-12-7(13-6)5-3-9-10-4-5/h3-4H,1-2H2,(H,9,10)
InChIKeyKFPVTGQPVBEZMW-UHFFFAOYSA-N
XLogP1.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(2-chloroethyl)-5-pyridazin-4-yl-1,3,4-oxadiazole
CID 104669988
2-[[5-(1H-pyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 135969087
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-(2-chloroethyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 43513255
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 39355727
2-(1-bromopropyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole
CID 135969132
2-(2-chloroethyl)-5-(3-methyl-4-pyridinyl)-1,3,4-oxadiazole
CID 130516109
2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 43513256

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole (CID 135969130) is 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole is ClCCc1nnc(-c2cn[nH]c2)o1.
What is the InChIKey of 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is KFPVTGQPVBEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O/c8-2-1-6-11-12-7(13-6)5-3-9-10-4-5/h3-4H,1-2H2,(H,9,10).
What are the key properties of 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 198.61 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(1H-pyrazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 135969130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).