N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide

C17H25N5O2 — CID 72903199

IUPACN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2nc(C3CCCCC3)no2)c1C
InChIInChI=1S/C17H25N5O2/c1-3-9-22-12(2)14(10-19-22)17(23)18-11-15-20-16(21-24-15)13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H,18,23)
InChIKeyIPOYVUHVXDKJOY-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.96
Rot. Bonds6

About N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72903199) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72903199
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2nc(C3CCCCC3)no2)c1C
InChIInChI=1S/C17H25N5O2/c1-3-9-22-12(2)14(10-19-22)17(23)18-11-15-20-16(21-24-15)13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H,18,23)
InChIKeyIPOYVUHVXDKJOY-UHFFFAOYSA-N
XLogP2.96
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 72903199) is N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCc2nc(C3CCCCC3)no2)c1C.
What is the InChIKey of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is IPOYVUHVXDKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-9-22-12(2)14(10-19-22)17(23)18-11-15-20-16(21-24-15)13-7-5-4-6-8-13/h10,13H,3-9,11H2,1-2H3,(H,18,23).
What are the key properties of N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72903199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).