[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate

C20H29FN6O3 — CID 155040895

About [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate

[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate (PubChem CID 155040895) has the molecular formula C20H29FN6O3 and a molecular weight of 420.49 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate
• PubChem CID: 155040895
• Molecular Formula: C20H29FN6O3
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.23
• IUPAC Name: [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate
• SMILES: CC[C@@H](F)[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnn(C)c3)n[nH]2)C1
• InChI: InChI=1S/C20H29FN6O3/c1-4-16(21)12(2)23-20(29)30-15-6-5-14(8-15)17-9-18(26-25-17)24-19(28)7-13-10-22-27(3)11-13/h9-12,14-16H,4-8H2,1-3H3,(H,23,29)(H2,24,25,26,28)/t12-,14-,15+,16+/m0/s1
• InChIKey: DCVFJMDGWZKOHV-ARLBYUKCSA-N
• XLogP: 2.82
• TPSA: 113.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate?

The IUPAC name of [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate (CID 155040895) is [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate.

What is the SMILES notation for [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate?

The canonical SMILES for [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate is CC[C@@H](F)[C@H](C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cnn(C)c3)n[nH]2)C1.

What is the InChIKey of [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate?

The InChIKey is DCVFJMDGWZKOHV-ARLBYUKCSA-N. The full InChI is InChI=1S/C20H29FN6O3/c1-4-16(21)12(2)23-20(29)30-15-6-5-14(8-15)17-9-18(26-25-17)24-19(28)7-13-10-22-27(3)11-13/h9-12,14-16H,4-8H2,1-3H3,(H,23,29)(H2,24,25,26,28)/t12-,14-,15+,16+/m0/s1.

What are the key properties of [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate?

[(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate has a molecular weight of 420.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S)-3-[3-[[2-(1-methylpyrazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S,3R)-3-fluoropentan-2-yl]carbamate is sourced from PubChem (CID 155040895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).