5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide

C17H26F2N4O3 — CID 136531889

IUPAC5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
InChIInChI=1S/C17H26F2N4O3/c1-22-14(26-16(18)19)11-13(21-22)15(24)20-12-17(5-3-2-4-6-17)23-7-9-25-10-8-23/h11,16H,2-10,12H2,1H3,(H,20,24)
InChIKeyTZIAIVOGCUPRQK-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.79
Rot. Bonds6

About 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide

5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 136531889) has the molecular formula C17H26F2N4O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID136531889
Molecular FormulaC17H26F2N4O3
Molecular Weight372.42 g/mol
Exact Mass372.20
IUPAC Name5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F
InChIInChI=1S/C17H26F2N4O3/c1-22-14(26-16(18)19)11-13(21-22)15(24)20-12-17(5-3-2-4-6-17)23-7-9-25-10-8-23/h11,16H,2-10,12H2,1H3,(H,20,24)
InChIKeyTZIAIVOGCUPRQK-UHFFFAOYSA-N
XLogP1.79
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 136531889) is 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide is Cn1nc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is TZIAIVOGCUPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O3/c1-22-14(26-16(18)19)11-13(21-22)15(24)20-12-17(5-3-2-4-6-17)23-7-9-25-10-8-23/h11,16H,2-10,12H2,1H3,(H,20,24).
What are the key properties of 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide?
5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 136531889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).