N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide

C₂₁H₁₈F₂N₄O — CID 177050074

About N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide

N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide (PubChem CID 177050074) has the molecular formula C₂₁H₁₈F₂N₄O and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide.

Molecular Properties

• Compound Name: N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide
• PubChem CID: 177050074
• Molecular Formula: C₂₁H₁₈F₂N₄O
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.14
• IUPAC Name: N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide
• SMILES: O=C(N[C@H]1CCc2nn(-c3ccnc(C4CC4)c3)cc21)c1cc(F)cc(F)c1
• InChI: InChI=1S/C21H18F2N4O/c22-14-7-13(8-15(23)9-14)21(28)25-18-3-4-19-17(18)11-27(26-19)16-5-6-24-20(10-16)12-1-2-12/h5-12,18H,1-4H2,(H,25,28)/t18-/m0/s1
• InChIKey: BWXQHIATMDNTQL-SFHVURJKSA-N
• XLogP: 3.84
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide?

The IUPAC name of N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide (CID 177050074) is N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide.

What is the SMILES notation for N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide?

The canonical SMILES for N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide is O=C(N[C@H]1CCc2nn(-c3ccnc(C4CC4)c3)cc21)c1cc(F)cc(F)c1.

What is the InChIKey of N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide?

The InChIKey is BWXQHIATMDNTQL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18F2N4O/c22-14-7-13(8-15(23)9-14)21(28)25-18-3-4-19-17(18)11-27(26-19)16-5-6-24-20(10-16)12-1-2-12/h5-12,18H,1-4H2,(H,25,28)/t18-/m0/s1.

What are the key properties of N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide?

N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide has a molecular weight of 380.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]-3,5-difluorobenzamide is sourced from PubChem (CID 177050074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177050074 — identifiers, structure, computed properties (public domain)

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