(2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide

C24H36N4O4 — CID 91286970

IUPAC(2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
SMILESCC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(OC3CCCC3)cc2O)n1
InChIInChI=1S/C24H36N4O4/c1-24(2,31)16-27-12-11-21(26-27)25-23(30)20(13-17-7-3-4-8-17)28-15-19(14-22(28)29)32-18-9-5-6-10-18/h11-12,14-15,17-18,20,29,31H,3-10,13,16H2,1-2H3,(H,25,26,30)/t20-/m0/s1
InChIKeySBWWJLVSQLXOFZ-FQEVSTJZSA-N
MW444.58 g/mol
LogP4.24
Rot. Bonds9

About (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide

(2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide (PubChem CID 91286970) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
PubChem CID91286970
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name(2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
SMILESCC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(OC3CCCC3)cc2O)n1
InChIInChI=1S/C24H36N4O4/c1-24(2,31)16-27-12-11-21(26-27)25-23(30)20(13-17-7-3-4-8-17)28-15-19(14-22(28)29)32-18-9-5-6-10-18/h11-12,14-15,17-18,20,29,31H,3-10,13,16H2,1-2H3,(H,25,26,30)/t20-/m0/s1
InChIKeySBWWJLVSQLXOFZ-FQEVSTJZSA-N
XLogP4.24
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide (CID 91286970) is (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide is CC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)n2cc(OC3CCCC3)cc2O)n1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide?
The InChIKey is SBWWJLVSQLXOFZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-24(2,31)16-27-12-11-21(26-27)25-23(30)20(13-17-7-3-4-8-17)28-15-19(14-22(28)29)32-18-9-5-6-10-18/h11-12,14-15,17-18,20,29,31H,3-10,13,16H2,1-2H3,(H,25,26,30)/t20-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide?
(2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide has a molecular weight of 444.58 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(4-cyclopentyloxy-2-hydroxypyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 91286970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).