N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide

C22H34N6O3 — CID 171719219

About N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide

N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide (PubChem CID 171719219) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
• PubChem CID: 171719219
• Molecular Formula: C22H34N6O3
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.27
• IUPAC Name: N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide
• SMILES: CC[C@@]1(CC(=O)NC(C)C)CC[C@H](c2cc(NC(=O)c3cc(COC)nn3C)n[nH]2)C1
• InChI: InChI=1S/C22H34N6O3/c1-6-22(12-20(29)23-14(2)3)8-7-15(11-22)17-10-19(26-25-17)24-21(30)18-9-16(13-31-5)27-28(18)4/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,23,29)(H2,24,25,26,30)/t15-,22+/m0/s1
• InChIKey: PVYYKFHVCOFMCF-OYHNWAKOSA-N
• XLogP: 3.12
• TPSA: 113.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The IUPAC name of N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide (CID 171719219) is N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide.

What is the SMILES notation for N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The canonical SMILES for N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide is CC[C@@]1(CC(=O)NC(C)C)CC[C@H](c2cc(NC(=O)c3cc(COC)nn3C)n[nH]2)C1.

What is the InChIKey of N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

The InChIKey is PVYYKFHVCOFMCF-OYHNWAKOSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-6-22(12-20(29)23-14(2)3)8-7-15(11-22)17-10-19(26-25-17)24-21(30)18-9-16(13-31-5)27-28(18)4/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,23,29)(H2,24,25,26,30)/t15-,22+/m0/s1.

What are the key properties of N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide?

N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1S,3R)-3-ethyl-3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentyl]-1H-pyrazol-3-yl]-3-(methoxymethyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 171719219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).