3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

C16H17Cl2N5O — CID 120834346

IUPAC3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1ccccc1Cc1noc(-c2cc(C3CCNC3)[nH]n2)n1
InChIInChI=1S/C16H16ClN5O.ClH/c17-12-4-2-1-3-10(12)7-15-19-16(23-22-15)14-8-13(20-21-14)11-5-6-18-9-11;/h1-4,8,11,18H,5-7,9H2,(H,20,21);1H
InChIKeyBZCHXVXVHMNNFK-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.20
Rot. Bonds4

About 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride

3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120834346) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120834346
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC Name3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.Clc1ccccc1Cc1noc(-c2cc(C3CCNC3)[nH]n2)n1
InChIInChI=1S/C16H16ClN5O.ClH/c17-12-4-2-1-3-10(12)7-15-19-16(23-22-15)14-8-13(20-21-14)11-5-6-18-9-11;/h1-4,8,11,18H,5-7,9H2,(H,20,21);1H
InChIKeyBZCHXVXVHMNNFK-UHFFFAOYSA-N
XLogP3.20
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride 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

3-[(3-methoxyphenyl)methoxymethyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120838978
5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 120835622
3-(2-methoxyphenyl)-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835553
5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528488
3-tert-butyl-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 120837596
3-[3-(piperidin-1-ylmethyl)phenyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120839400
3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032178
3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
CID 119947686
N-[2-[5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide;hydrochloride
CID 120834554
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120835674
3-[(2-chlorophenyl)methyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947691

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120834346) is 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is Cl.Clc1ccccc1Cc1noc(-c2cc(C3CCNC3)[nH]n2)n1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is BZCHXVXVHMNNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O.ClH/c17-12-4-2-1-3-10(12)7-15-19-16(23-22-15)14-8-13(20-21-14)11-5-6-18-9-11;/h1-4,8,11,18H,5-7,9H2,(H,20,21);1H.
What are the key properties of 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 366.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120834346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).