1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole

C14H17N3 — CID 105484973

IUPAC1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
SMILESCc1ccccc1-n1cc(C2CCNC2)cn1
InChIInChI=1S/C14H17N3/c1-11-4-2-3-5-14(11)17-10-13(9-16-17)12-6-7-15-8-12/h2-5,9-10,12,15H,6-8H2,1H3
InChIKeyWRUUSQVSYNSLJR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.26
Rot. Bonds2

About 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole

1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole (PubChem CID 105484973) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
PubChem CID105484973
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
SMILESCc1ccccc1-n1cc(C2CCNC2)cn1
InChIInChI=1S/C14H17N3/c1-11-4-2-3-5-14(11)17-10-13(9-16-17)12-6-7-15-8-12/h2-5,9-10,12,15H,6-8H2,1H3
InChIKeyWRUUSQVSYNSLJR-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484974
1-tert-butyl-4-[1-(2-methylphenyl)pyrazol-4-yl]piperidine
CID 176809540
1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole
CID 105489365
N-methyl-1-(2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134432
N-methyl-1-(2-methylphenyl)-N-[(3R)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134433
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
1-(2-methylpropyl)-4-pyrrolidin-3-ylpyrazole
CID 105447574
ethane;3-phenylpyrrolidine
CID 91032726
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
CID 105493602
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
1-[1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210939
3-methyl-6-pyrrolidin-3-ylimidazo[1,5-a]pyridine
CID 83831901

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole?
The IUPAC name of 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole (CID 105484973) is 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole is Cc1ccccc1-n1cc(C2CCNC2)cn1.
What is the InChIKey of 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole?
The InChIKey is WRUUSQVSYNSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-4-2-3-5-14(11)17-10-13(9-16-17)12-6-7-15-8-12/h2-5,9-10,12,15H,6-8H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole?
1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole has a molecular weight of 227.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 105484973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).