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

C14H17N3 — CID 105484974

IUPAC1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
SMILESCc1cccc(-n2cc(C3CCNC3)cn2)c1
InChIInChI=1S/C14H17N3/c1-11-3-2-4-14(7-11)17-10-13(9-16-17)12-5-6-15-8-12/h2-4,7,9-10,12,15H,5-6,8H2,1H3
InChIKeySTYODVHRCJQQHC-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.26
Rot. Bonds2

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

1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole (PubChem CID 105484974) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
PubChem CID105484974
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole
SMILESCc1cccc(-n2cc(C3CCNC3)cn2)c1
InChIInChI=1S/C14H17N3/c1-11-3-2-4-14(7-11)17-10-13(9-16-17)12-5-6-15-8-12/h2-4,7,9-10,12,15H,5-6,8H2,1H3
InChIKeySTYODVHRCJQQHC-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

Analyze 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-methylpyrazol-1-yl)phenyl]piperidine
CID 117355761
1-(4-fluorophenyl)-4-pyrrolidin-3-ylpyrazole
CID 105489365
1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484973
[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 83277174
3-methyl-6-pyrrolidin-3-ylimidazo[1,5-a]pyridine
CID 83831901
1-(2-methylpropyl)-4-pyrrolidin-3-ylpyrazole
CID 105447574
3-methyl-5-[(3S)-pyrrolidin-3-yl]pyridine
CID 96736316
N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 53149314
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
1-cycloheptyl-4-pyrrolidin-3-ylpyrazole
CID 105493602
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119531389

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole?
The IUPAC name of 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole (CID 105484974) is 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole is Cc1cccc(-n2cc(C3CCNC3)cn2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole?
The InChIKey is STYODVHRCJQQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-3-2-4-14(7-11)17-10-13(9-16-17)12-5-6-15-8-12/h2-4,7,9-10,12,15H,5-6,8H2,1H3.
What are the key properties of 1-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole?
1-(3-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-(3-methylphenyl)-4-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 105484974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).