3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide

C22H26N4O2 — CID 127488638

IUPAC3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1coc(-c2cc(NC(=O)c3cn(C)nc3C3CCCCC3)ccc2C)n1
InChIInChI=1S/C22H26N4O2/c1-14-9-10-17(11-18(14)22-23-15(2)13-28-22)24-21(27)19-12-26(3)25-20(19)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3,(H,24,27)
InChIKeyJNEVXUHKGCIVHK-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.99
Rot. Bonds4

About 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide

3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 127488638) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide
PubChem CID127488638
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1coc(-c2cc(NC(=O)c3cn(C)nc3C3CCCCC3)ccc2C)n1
InChIInChI=1S/C22H26N4O2/c1-14-9-10-17(11-18(14)22-23-15(2)13-28-22)24-21(27)19-12-26(3)25-20(19)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3,(H,24,27)
InChIKeyJNEVXUHKGCIVHK-UHFFFAOYSA-N
XLogP4.99
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide (CID 127488638) is 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide is Cc1coc(-c2cc(NC(=O)c3cn(C)nc3C3CCCCC3)ccc2C)n1.
What is the InChIKey of 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is JNEVXUHKGCIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-9-10-17(11-18(14)22-23-15(2)13-28-22)24-21(27)19-12-26(3)25-20(19)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3,(H,24,27).
What are the key properties of 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide?
3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 127488638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).