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

C17H23N3O — CID 67198599

IUPAC5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
SMILESCc1ccnn1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C17H23N3O/c1-15-9-10-18-20(15)16-5-7-17(8-6-16)21-14-4-13-19-11-2-3-12-19/h5-10H,2-4,11-14H2,1H3
InChIKeyRGBFBJAEDYJPCR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds6

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

5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole (PubChem CID 67198599) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole.

Molecular Properties

Compound Name5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
PubChem CID67198599
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
SMILESCc1ccnn1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C17H23N3O/c1-15-9-10-18-20(15)16-5-7-17(8-6-16)21-14-4-13-19-11-2-3-12-19/h5-10H,2-4,11-14H2,1H3
InChIKeyRGBFBJAEDYJPCR-UHFFFAOYSA-N
XLogP3.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24785564
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9475070
3-methyl-5-(propan-2-yloxymethyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24784817
2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
CID 16659553
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
5-(cyclopentyloxymethyl)-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24784815
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
2,5-dimethyl-1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]indole
CID 143447161
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole-4-carboxylic acid
CID 152783651
8-methoxy-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-4,5-dihydrobenzo[g]indazole
CID 24784564
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole?
The IUPAC name of 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole (CID 67198599) is 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole.
What is the SMILES notation for 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole?
The canonical SMILES for 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole is Cc1ccnn1-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole?
The InChIKey is RGBFBJAEDYJPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-15-9-10-18-20(15)16-5-7-17(8-6-16)21-14-4-13-19-11-2-3-12-19/h5-10H,2-4,11-14H2,1H3.
What are the key properties of 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole?
5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole has a molecular weight of 285.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole is sourced from PubChem (CID 67198599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).