1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C19H22ClN5O — CID 120850498

IUPAC1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCC(C)c1c(-c2nc(C3(N)CCCC3)no2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN5O/c1-12(2)16-15(11-22-25(16)14-7-5-6-13(20)10-14)17-23-18(24-26-17)19(21)8-3-4-9-19/h5-7,10-12H,3-4,8-9,21H2,1-2H3
InChIKeyZNMDUJRWBBIZPA-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.43
Rot. Bonds4

About 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850498) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850498
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCC(C)c1c(-c2nc(C3(N)CCCC3)no2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN5O/c1-12(2)16-15(11-22-25(16)14-7-5-6-13(20)10-14)17-23-18(24-26-17)19(21)8-3-4-9-19/h5-7,10-12H,3-4,8-9,21H2,1-2H3
InChIKeyZNMDUJRWBBIZPA-UHFFFAOYSA-N
XLogP4.43
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858902
5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958674
1-[5-[1-(3-chlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862151
1-[5-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850893
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
1-[5-(5-cyclopropyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120854271
1-[5-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858892
1-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353693
1-[5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852333
1-[5-(2-chlorofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 106689441
1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855463
1-[5-(1-propan-2-ylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855462

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850498) is 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is CC(C)c1c(-c2nc(C3(N)CCCC3)no2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is ZNMDUJRWBBIZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-12(2)16-15(11-22-25(16)14-7-5-6-13(20)10-14)17-23-18(24-26-17)19(21)8-3-4-9-19/h5-7,10-12H,3-4,8-9,21H2,1-2H3.
What are the key properties of 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 371.87 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).