5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole

C14H16ClN3O — CID 117232233

IUPAC5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESClc1c(Oc2ccccc2)cnn1CC1CCCN1
InChIInChI=1S/C14H16ClN3O/c15-14-13(19-12-6-2-1-3-7-12)9-17-18(14)10-11-5-4-8-16-11/h1-3,6-7,9,11,16H,4-5,8,10H2
InChIKeyGJTFKROROYATRN-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.08
Rot. Bonds4

About 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole

5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 117232233) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID117232233
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESClc1c(Oc2ccccc2)cnn1CC1CCCN1
InChIInChI=1S/C14H16ClN3O/c15-14-13(19-12-6-2-1-3-7-12)9-17-18(14)10-11-5-4-8-16-11/h1-3,6-7,9,11,16H,4-5,8,10H2
InChIKeyGJTFKROROYATRN-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole 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

5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 117231908
1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine
CID 117233203
1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
CID 117125009
5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole
CID 117232098
7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
CID 84811810
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
CID 117232255
2-phenoxy-N-(piperidin-2-ylmethyl)aniline
CID 106632819
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
CID 102548974
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
2-[(5-chlorotriazol-1-yl)methyl]piperidine
CID 84776015
6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole (CID 117232233) is 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole is Clc1c(Oc2ccccc2)cnn1CC1CCCN1.
What is the InChIKey of 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is GJTFKROROYATRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-14-13(19-12-6-2-1-3-7-12)9-17-18(14)10-11-5-4-8-16-11/h1-3,6-7,9,11,16H,4-5,8,10H2.
What are the key properties of 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole?
5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 277.75 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 117232233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).