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

C21H27N5O2S — CID 98065453

IUPAC3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)c(C)n1
InChIInChI=1S/C21H27N5O2S/c1-3-10-26-13-17(14(2)25-26)19(27)22-12-15-6-8-16(9-7-15)20-23-24-21(28-20)18-5-4-11-29-18/h4-5,11,13,15-16H,3,6-10,12H2,1-2H3,(H,22,27)
InChIKeyPAISJOSMLTVQBW-UHFFFAOYSA-N
MW413.55 g/mol
LogP4.42
Rot. Bonds7

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

3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide (PubChem CID 98065453) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide
PubChem CID98065453
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)c(C)n1
InChIInChI=1S/C21H27N5O2S/c1-3-10-26-13-17(14(2)25-26)19(27)22-12-15-6-8-16(9-7-15)20-23-24-21(28-20)18-5-4-11-29-18/h4-5,11,13,15-16H,3,6-10,12H2,1-2H3,(H,22,27)
InChIKeyPAISJOSMLTVQBW-UHFFFAOYSA-N
XLogP4.42
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide (CID 98065453) is 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide is CCCn1cc(C(=O)NCC2CCC(c3nnc(-c4cccs4)o3)CC2)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide?
The InChIKey is PAISJOSMLTVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-3-10-26-13-17(14(2)25-26)19(27)22-12-15-6-8-16(9-7-15)20-23-24-21(28-20)18-5-4-11-29-18/h4-5,11,13,15-16H,3,6-10,12H2,1-2H3,(H,22,27).
What are the key properties of 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide?
3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide has a molecular weight of 413.55 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 98065453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).