[3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

About [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 176998693) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name	[3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID	176998693
Molecular Formula	C25H33N5O5
Molecular Weight	483.57 g/mol
Exact Mass	483.25
IUPAC Name	[3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILES	CC(C)/N=C/c1c(O)cccc1OCC(=O)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1
InChI	InChI=1S/C25H33N5O5/c1-15(2)26-13-18-20(31)5-4-6-21(18)34-14-23(32)27-22-12-19(29-30-22)16-7-8-17(11-16)35-24(33)28-25(3)9-10-25/h4-6,12-13,15-17,31H,7-11,14H2,1-3H3,(H,28,33)(H2,27,29,30,32)/b26-13+
InChIKey	LFQPQUIKFKMXJJ-LGJNPRDNSA-N
XLogP	3.87
TPSA	137.93 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 176998693) is [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC(C)/N=C/c1c(O)cccc1OCC(=O)Nc1cc(C2CCC(OC(=O)NC3(C)CC3)C2)[nH]n1.

What is the InChIKey of [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is LFQPQUIKFKMXJJ-LGJNPRDNSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-15(2)26-13-18-20(31)5-4-6-21(18)34-14-23(32)27-22-12-19(29-30-22)16-7-8-17(11-16)35-24(33)28-25(3)9-10-25/h4-6,12-13,15-17,31H,7-11,14H2,1-3H3,(H,28,33)(H2,27,29,30,32)/b26-13+.

What are the key properties of [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

[3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 483.57 g/mol, XLogP of 3.87, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 176998693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).