N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide

C12H17F2N3O2 — CID 122243091

IUPACN-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3O2/c1-17-7-9(11(16-17)19-2)10(18)15-8-3-5-12(13,14)6-4-8/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKeyUAYAIRBWANVFLM-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.74
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide

N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 122243091) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID122243091
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC NameN-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H17F2N3O2/c1-17-7-9(11(16-17)19-2)10(18)15-8-3-5-12(13,14)6-4-8/h7-8H,3-6H2,1-2H3,(H,15,18)
InChIKeyUAYAIRBWANVFLM-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide (CID 122243091) is N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is UAYAIRBWANVFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-17-7-9(11(16-17)19-2)10(18)15-8-3-5-12(13,14)6-4-8/h7-8H,3-6H2,1-2H3,(H,15,18).
What are the key properties of N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide?
N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 122243091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).