5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide

C19H32N4O2 — CID 72852696

IUPAC5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1C
InChIInChI=1S/C19H32N4O2/c1-3-9-23-16(2)17(14-21-23)18(24)20-15-19(7-5-4-6-8-19)22-10-12-25-13-11-22/h14H,3-13,15H2,1-2H3,(H,20,24)
InChIKeyJIULMNLCDQBAOS-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.37
Rot. Bonds6

About 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 72852696) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide
PubChem CID72852696
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1C
InChIInChI=1S/C19H32N4O2/c1-3-9-23-16(2)17(14-21-23)18(24)20-15-19(7-5-4-6-8-19)22-10-12-25-13-11-22/h14H,3-13,15H2,1-2H3,(H,20,24)
InChIKeyJIULMNLCDQBAOS-UHFFFAOYSA-N
XLogP2.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide (CID 72852696) is 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1C.
What is the InChIKey of 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is JIULMNLCDQBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-9-23-16(2)17(14-21-23)18(24)20-15-19(7-5-4-6-8-19)22-10-12-25-13-11-22/h14H,3-13,15H2,1-2H3,(H,20,24).
What are the key properties of 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72852696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).