N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide

C15H23F2N3O — CID 175397304

IUPACN-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1nn(C(C)C)c(C(=O)NC2CCC(F)(F)CC2)c1C
InChIInChI=1S/C15H23F2N3O/c1-9(2)20-13(10(3)11(4)19-20)14(21)18-12-5-7-15(16,17)8-6-12/h9,12H,5-8H2,1-4H3,(H,18,21)
InChIKeyRRZDYURMIWRSDK-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.39
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide

N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 175397304) has the molecular formula C15H23F2N3O and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID175397304
Molecular FormulaC15H23F2N3O
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC NameN-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1nn(C(C)C)c(C(=O)NC2CCC(F)(F)CC2)c1C
InChIInChI=1S/C15H23F2N3O/c1-9(2)20-13(10(3)11(4)19-20)14(21)18-12-5-7-15(16,17)8-6-12/h9,12H,5-8H2,1-4H3,(H,18,21)
InChIKeyRRZDYURMIWRSDK-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide (CID 175397304) is N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide is Cc1nn(C(C)C)c(C(=O)NC2CCC(F)(F)CC2)c1C.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is RRZDYURMIWRSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-9(2)20-13(10(3)11(4)19-20)14(21)18-12-5-7-15(16,17)8-6-12/h9,12H,5-8H2,1-4H3,(H,18,21).
What are the key properties of N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide?
N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4,5-dimethyl-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 175397304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).