4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine

C11H8ClN5O — CID 163935953

IUPAC4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C11H8ClN5O/c12-7-3-1-2-6(4-7)10-16-17-11(18-10)8-5-14-15-9(8)13/h1-5H,(H3,13,14,15)
InChIKeyRMVCSPQZIXPVDH-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.36
Rot. Bonds2

About 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine

4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine (PubChem CID 163935953) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine
PubChem CID163935953
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C11H8ClN5O/c12-7-3-1-2-6(4-7)10-16-17-11(18-10)8-5-14-15-9(8)13/h1-5H,(H3,13,14,15)
InChIKeyRMVCSPQZIXPVDH-UHFFFAOYSA-N
XLogP2.36
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine (CID 163935953) is 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine?
The InChIKey is RMVCSPQZIXPVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c12-7-3-1-2-6(4-7)10-16-17-11(18-10)8-5-14-15-9(8)13/h1-5H,(H3,13,14,15).
What are the key properties of 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine?
4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine has a molecular weight of 261.67 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 163935953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).