1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C19H24ClN5O3 — CID 120852559

IUPAC1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCOCCOc1cn(-c2ccccc2)nc1-c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C19H23N5O3.ClH/c1-25-11-12-26-15-13-24(14-7-3-2-4-8-14)22-16(15)17-21-18(23-27-17)19(20)9-5-6-10-19;/h2-4,7-8,13H,5-6,9-12,20H2,1H3;1H
InChIKeyGOGWCOBXVWPCSN-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.10
Rot. Bonds7

About 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120852559) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120852559
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Name1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCOCCOc1cn(-c2ccccc2)nc1-c1nc(C2(N)CCCC2)no1.Cl
InChIInChI=1S/C19H23N5O3.ClH/c1-25-11-12-26-15-13-24(14-7-3-2-4-8-14)22-16(15)17-21-18(23-27-17)19(20)9-5-6-10-19;/h2-4,7-8,13H,5-6,9-12,20H2,1H3;1H
InChIKeyGOGWCOBXVWPCSN-UHFFFAOYSA-N
XLogP3.10
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854456
5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957059
1-[5-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855488
1-[5-[4-(2-methoxyethoxy)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853576
1-[5-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864388
1-[5-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852694
1-[5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862087
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867648
N-methyl-1-[5-(1-phenyl-4-propoxypyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867649
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
1-[5-(3,4-dipropoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851442
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120852559) is 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is COCCOc1cn(-c2ccccc2)nc1-c1nc(C2(N)CCCC2)no1.Cl.
What is the InChIKey of 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is GOGWCOBXVWPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.ClH/c1-25-11-12-26-15-13-24(14-7-3-2-4-8-14)22-16(15)17-21-18(23-27-17)19(20)9-5-6-10-19;/h2-4,7-8,13H,5-6,9-12,20H2,1H3;1H.
What are the key properties of 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 405.89 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-methoxyethoxy)-1-phenylpyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120852559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).