5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide

C14H19F2N3O — CID 166528407

IUPAC5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C2CC2)nn(CC2CC(C(F)F)C2)c1C(N)=O
InChIInChI=1S/C14H19F2N3O/c1-7-11(9-2-3-9)18-19(12(7)14(17)20)6-8-4-10(5-8)13(15)16/h8-10,13H,2-6H2,1H3,(H2,17,20)
InChIKeyHMNQBYDADHWMJU-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.46
Rot. Bonds5

About 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide

5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide (PubChem CID 166528407) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide
PubChem CID166528407
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C2CC2)nn(CC2CC(C(F)F)C2)c1C(N)=O
InChIInChI=1S/C14H19F2N3O/c1-7-11(9-2-3-9)18-19(12(7)14(17)20)6-8-4-10(5-8)13(15)16/h8-10,13H,2-6H2,1H3,(H2,17,20)
InChIKeyHMNQBYDADHWMJU-UHFFFAOYSA-N
XLogP2.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide (CID 166528407) is 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide is Cc1c(C2CC2)nn(CC2CC(C(F)F)C2)c1C(N)=O.
What is the InChIKey of 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is HMNQBYDADHWMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-7-11(9-2-3-9)18-19(12(7)14(17)20)6-8-4-10(5-8)13(15)16/h8-10,13H,2-6H2,1H3,(H2,17,20).
What are the key properties of 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide?
5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 283.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166528407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).