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

C16H18ClN5O — CID 166217513

IUPAC1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine
SMILESCC(C)c1noc(C(C)Nc2ccn(-c3ccccc3Cl)n2)n1
InChIInChI=1S/C16H18ClN5O/c1-10(2)15-19-16(23-21-15)11(3)18-14-8-9-22(20-14)13-7-5-4-6-12(13)17/h4-11H,1-3H3,(H,18,20)
InChIKeyNMFLNSMTHBOCQF-UHFFFAOYSA-N
MW331.81 g/mol
LogP4.21
Rot. Bonds5

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

1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine (PubChem CID 166217513) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine
PubChem CID166217513
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine
SMILESCC(C)c1noc(C(C)Nc2ccn(-c3ccccc3Cl)n2)n1
InChIInChI=1S/C16H18ClN5O/c1-10(2)15-19-16(23-21-15)11(3)18-14-8-9-22(20-14)13-7-5-4-6-12(13)17/h4-11H,1-3H3,(H,18,20)
InChIKeyNMFLNSMTHBOCQF-UHFFFAOYSA-N
XLogP4.21
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine (CID 166217513) is 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine is CC(C)c1noc(C(C)Nc2ccn(-c3ccccc3Cl)n2)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine?
The InChIKey is NMFLNSMTHBOCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-10(2)15-19-16(23-21-15)11(3)18-14-8-9-22(20-14)13-7-5-4-6-12(13)17/h4-11H,1-3H3,(H,18,20).
What are the key properties of 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine?
1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine has a molecular weight of 331.81 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-3-amine is sourced from PubChem (CID 166217513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).