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

C17H19F2N3O2 — CID 51102605

IUPACN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C1CCOCC1
InChIInChI=1S/C17H19F2N3O2/c1-11-9-20-22(10-13-8-14(18)2-3-15(13)19)16(11)21-17(23)12-4-6-24-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,23)
InChIKeyBKIPXKDMJLMALL-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.88
Rot. Bonds4

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

N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide (PubChem CID 51102605) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide
PubChem CID51102605
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide
SMILESCc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C1CCOCC1
InChIInChI=1S/C17H19F2N3O2/c1-11-9-20-22(10-13-8-14(18)2-3-15(13)19)16(11)21-17(23)12-4-6-24-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,23)
InChIKeyBKIPXKDMJLMALL-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide (CID 51102605) is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide is Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C1CCOCC1.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide?
The InChIKey is BKIPXKDMJLMALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-11-9-20-22(10-13-8-14(18)2-3-15(13)19)16(11)21-17(23)12-4-6-24-7-5-12/h2-3,8-9,12H,4-7,10H2,1H3,(H,21,23).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide?
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]oxane-4-carboxamide is sourced from PubChem (CID 51102605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).