5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one

C17H17F2N5O — CID 135355469

IUPAC5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3(F)F)c2)cn1
InChIInChI=1S/C17H17F2N5O/c1-22-10-15(14(3-16(22)25)11-5-20-23(2)7-11)12-6-21-24(8-12)9-13-4-17(13,18)19/h3,5-8,10,13H,4,9H2,1-2H3
InChIKeyAHQRRRNRQPVZDP-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.30
Rot. Bonds4

About 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one

5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 135355469) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID135355469
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCn1cc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3(F)F)c2)cn1
InChIInChI=1S/C17H17F2N5O/c1-22-10-15(14(3-16(22)25)11-5-20-23(2)7-11)12-6-21-24(8-12)9-13-4-17(13,18)19/h3,5-8,10,13H,4,9H2,1-2H3
InChIKeyAHQRRRNRQPVZDP-UHFFFAOYSA-N
XLogP2.30
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one (CID 135355469) is 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one is Cn1cc(-c2cc(=O)n(C)cc2-c2cnn(CC3CC3(F)F)c2)cn1.
What is the InChIKey of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is AHQRRRNRQPVZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-22-10-15(14(3-16(22)25)11-5-20-23(2)7-11)12-6-21-24(8-12)9-13-4-17(13,18)19/h3,5-8,10,13H,4,9H2,1-2H3.
What are the key properties of 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one?
5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 345.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-1-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 135355469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).