5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide

C20H25N5O2S — CID 98065437

IUPAC5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)n[nH]1
InChIInChI=1S/C20H25N5O2S/c1-12(2)15-10-16(23-22-15)18(26)21-11-13-5-7-14(8-6-13)19-24-25-20(27-19)17-4-3-9-28-17/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyYNMGJNOSHWRVGE-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.35
Rot. Bonds6

About 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 98065437) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID98065437
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)n[nH]1
InChIInChI=1S/C20H25N5O2S/c1-12(2)15-10-16(23-22-15)18(26)21-11-13-5-7-14(8-6-13)19-24-25-20(27-19)17-4-3-9-28-17/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyYNMGJNOSHWRVGE-UHFFFAOYSA-N
XLogP4.35
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide (CID 98065437) is 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YNMGJNOSHWRVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-12(2)15-10-16(23-22-15)18(26)21-11-13-5-7-14(8-6-13)19-24-25-20(27-19)17-4-3-9-28-17/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 98065437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).