N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide

C16H17F2N3O — CID 47085607

IUPACN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C1CCC1
InChIInChI=1S/C16H17F2N3O/c1-10-8-19-21(9-12-7-13(17)5-6-14(12)18)15(10)20-16(22)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,20,22)
InChIKeyOMOIAKKJQSRGRJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.26
Rot. Bonds4

About N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide

N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide (PubChem CID 47085607) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide
PubChem CID47085607
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C1CCC1
InChIInChI=1S/C16H17F2N3O/c1-10-8-19-21(9-12-7-13(17)5-6-14(12)18)15(10)20-16(22)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,20,22)
InChIKeyOMOIAKKJQSRGRJ-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide (CID 47085607) is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide is Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C1CCC1.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide?
The InChIKey is OMOIAKKJQSRGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-10-8-19-21(9-12-7-13(17)5-6-14(12)18)15(10)20-16(22)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,20,22).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide?
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide has a molecular weight of 305.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 47085607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).