N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide

C16H20F4N4O — CID 169169308

IUPACN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C16H20F4N4O/c1-23-13(21-14(25)24-7-16(19,20)8-24)11(9-3-2-4-9)12(22-23)10-5-15(17,18)6-10/h9-10H,2-8H2,1H3,(H,21,25)
InChIKeyDQOWFQBEJOBZJF-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.68
Rot. Bonds3

About N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide

N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide (PubChem CID 169169308) has the molecular formula C16H20F4N4O and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide
PubChem CID169169308
Molecular FormulaC16H20F4N4O
Molecular Weight360.36 g/mol
Exact Mass360.16
IUPAC NameN-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide
SMILESCn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C16H20F4N4O/c1-23-13(21-14(25)24-7-16(19,20)8-24)11(9-3-2-4-9)12(22-23)10-5-15(17,18)6-10/h9-10H,2-8H2,1H3,(H,21,25)
InChIKeyDQOWFQBEJOBZJF-UHFFFAOYSA-N
XLogP3.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide?
The IUPAC name of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide (CID 169169308) is N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide.
What is the SMILES notation for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide?
The canonical SMILES for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide is Cn1nc(C2CC(F)(F)C2)c(C2CCC2)c1NC(=O)N1CC(F)(F)C1.
What is the InChIKey of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide?
The InChIKey is DQOWFQBEJOBZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N4O/c1-23-13(21-14(25)24-7-16(19,20)8-24)11(9-3-2-4-9)12(22-23)10-5-15(17,18)6-10/h9-10H,2-8H2,1H3,(H,21,25).
What are the key properties of N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide?
N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]-3,3-difluoroazetidine-1-carboxamide is sourced from PubChem (CID 169169308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).