N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide

C14H17F4N3O — CID 169169449

IUPACN-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C14H17F4N3O/c1-7-10(8-3-13(15,16)4-8)20-21(2)11(7)19-12(22)9-5-14(17,18)6-9/h8-9H,3-6H2,1-2H3,(H,19,22)
InChIKeyIWCTYVWXQLZFSQ-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.23
Rot. Bonds3

About N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide

N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 169169449) has the molecular formula C14H17F4N3O and a molecular weight of 319.30 g/mol. Its IUPAC name is N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID169169449
Molecular FormulaC14H17F4N3O
Molecular Weight319.30 g/mol
Exact Mass319.13
IUPAC NameN-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C14H17F4N3O/c1-7-10(8-3-13(15,16)4-8)20-21(2)11(7)19-12(22)9-5-14(17,18)6-9/h8-9H,3-6H2,1-2H3,(H,19,22)
InChIKeyIWCTYVWXQLZFSQ-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide (CID 169169449) is N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide is Cc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is IWCTYVWXQLZFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3O/c1-7-10(8-3-13(15,16)4-8)20-21(2)11(7)19-12(22)9-5-14(17,18)6-9/h8-9H,3-6H2,1-2H3,(H,19,22).
What are the key properties of N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 319.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 169169449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).