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

C5H3ClN4O — CID 112571866

IUPAC3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccn[nH]2)n1
InChIInChI=1S/C5H3ClN4O/c6-5-8-4(11-10-5)3-1-2-7-9-3/h1-2H,(H,7,9)
InChIKeyFMQVDPZIHNNFDV-UHFFFAOYSA-N
MW170.56 g/mol
LogP1.11
Rot. Bonds1

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

3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 112571866) has the molecular formula C5H3ClN4O and a molecular weight of 170.56 g/mol. Its IUPAC name is 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID112571866
Molecular FormulaC5H3ClN4O
Molecular Weight170.56 g/mol
Exact Mass170.00
IUPAC Name3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccn[nH]2)n1
InChIInChI=1S/C5H3ClN4O/c6-5-8-4(11-10-5)3-1-2-7-9-3/h1-2H,(H,7,9)
InChIKeyFMQVDPZIHNNFDV-UHFFFAOYSA-N
XLogP1.11
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069276
2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63078570
3-(2-methoxyethyl)-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 94069261
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860494
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 63078918
3-chloro-5-(2H-triazol-4-yl)-1,2,4-oxadiazole
CID 112571918
3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 129368246
N',N'-dimethyl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635174
2-methoxy-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633592
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
2-piperidin-1-yl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104635977
5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112572132

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 112571866) is 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is Clc1noc(-c2ccn[nH]2)n1.
What is the InChIKey of 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is FMQVDPZIHNNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4O/c6-5-8-4(11-10-5)3-1-2-7-9-3/h1-2H,(H,7,9).
What are the key properties of 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 170.56 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).