5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole

C23H33N3O2 — CID 24784815

IUPAC5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
SMILESCc1cc(COC2CCCC2)n(-c2ccc(OCCCN3CCCC3)cc2)n1
InChIInChI=1S/C23H33N3O2/c1-19-17-21(18-28-22-7-2-3-8-22)26(24-19)20-9-11-23(12-10-20)27-16-6-15-25-13-4-5-14-25/h9-12,17,22H,2-8,13-16,18H2,1H3
InChIKeyXKSFGMYPCMGCCU-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.50
Rot. Bonds9

About 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole

5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole (PubChem CID 24784815) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole.

Molecular Properties

Compound Name5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
PubChem CID24784815
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
SMILESCc1cc(COC2CCCC2)n(-c2ccc(OCCCN3CCCC3)cc2)n1
InChIInChI=1S/C23H33N3O2/c1-19-17-21(18-28-22-7-2-3-8-22)26(24-19)20-9-11-23(12-10-20)27-16-6-15-25-13-4-5-14-25/h9-12,17,22H,2-8,13-16,18H2,1H3
InChIKeyXKSFGMYPCMGCCU-UHFFFAOYSA-N
XLogP4.50
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-(propan-2-yloxymethyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24784817
5-tert-butyl-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24785564
5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 67198599
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidine-4-carbaldehyde
CID 87150007
8-methoxy-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydrobenzo[g]indazole
CID 24784564
3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4,5,6,7,7a-hexahydroindazole
CID 67425940
2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
CID 16659553
[5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate
CID 67416121
1-[3-[4-[5-methyl-3-(2-methylpropyl)-3,4-dihydropyrazol-2-yl]phenoxy]propyl]piperidine
CID 90795397
1-[3-[4-[5-methyl-1-(2-methylpropyl)-3H-pyrazol-2-yl]phenoxy]propyl]piperidine
CID 67415010

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole?
The IUPAC name of 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole (CID 24784815) is 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole.
What is the SMILES notation for 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole?
The canonical SMILES for 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole is Cc1cc(COC2CCCC2)n(-c2ccc(OCCCN3CCCC3)cc2)n1.
What is the InChIKey of 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole?
The InChIKey is XKSFGMYPCMGCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-19-17-21(18-28-22-7-2-3-8-22)26(24-19)20-9-11-23(12-10-20)27-16-6-15-25-13-4-5-14-25/h9-12,17,22H,2-8,13-16,18H2,1H3.
What are the key properties of 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole?
5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole has a molecular weight of 383.54 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole is sourced from PubChem (CID 24784815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).