5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide

C15H24FN3O — CID 15376487

IUPAC5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C15H24FN3O/c1-9(2)11-7-5-6-8-12(11)17-15(20)13-10(3)18-19(4)14(13)16/h9,11-12H,5-8H2,1-4H3,(H,17,20)
InChIKeyUPIFTRPAELPCAP-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.81
Rot. Bonds3

About 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide

5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide (PubChem CID 15376487) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide
PubChem CID15376487
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C15H24FN3O/c1-9(2)11-7-5-6-8-12(11)17-15(20)13-10(3)18-19(4)14(13)16/h9,11-12H,5-8H2,1-4H3,(H,17,20)
InChIKeyUPIFTRPAELPCAP-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide (CID 15376487) is 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)NC1CCCCC1C(C)C.
What is the InChIKey of 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide?
The InChIKey is UPIFTRPAELPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-9(2)11-7-5-6-8-12(11)17-15(20)13-10(3)18-19(4)14(13)16/h9,11-12H,5-8H2,1-4H3,(H,17,20).
What are the key properties of 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide?
5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 15376487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).