5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole

C14H16ClN3O — CID 117231908

IUPAC5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESClc1c(Oc2ccccc2)cnn1CC1CCNC1
InChIInChI=1S/C14H16ClN3O/c15-14-13(19-12-4-2-1-3-5-12)9-17-18(14)10-11-6-7-16-8-11/h1-5,9,11,16H,6-8,10H2
InChIKeySFQZJFMVXVTSGD-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.94
Rot. Bonds4

About 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole

5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole (PubChem CID 117231908) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
PubChem CID117231908
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
SMILESClc1c(Oc2ccccc2)cnn1CC1CCNC1
InChIInChI=1S/C14H16ClN3O/c15-14-13(19-12-4-2-1-3-5-12)9-17-18(14)10-11-6-7-16-8-11/h1-5,9,11,16H,6-8,10H2
InChIKeySFQZJFMVXVTSGD-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-phenoxy-1-(pyrrolidin-3-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-2-ylmethyl)pyrazole
CID 117232233
5-bromo-4-phenoxy-1-pyrrolidin-3-ylpyrazole
CID 117231772
3-(4-phenoxyphenyl)-1-[[(3R)-pyrrolidin-3-yl]methyl]pyrazolo[3,4-d]pyrimidine
CID 130426843
5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115036794
3-[[1-(2-chlorophenoxy)cyclopropyl]methyl]pyrrolidine
CID 66890175
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole
CID 117232098
2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol
CID 117231420
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
CID 154899944
4-phenoxy-1-(thian-3-ylmethyl)pyrazole-5-carboxylic acid
CID 117232388

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole?
The IUPAC name of 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole (CID 117231908) is 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole?
The canonical SMILES for 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole is Clc1c(Oc2ccccc2)cnn1CC1CCNC1.
What is the InChIKey of 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole?
The InChIKey is SFQZJFMVXVTSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-14-13(19-12-4-2-1-3-5-12)9-17-18(14)10-11-6-7-16-8-11/h1-5,9,11,16H,6-8,10H2.
What are the key properties of 5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole?
5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole has a molecular weight of 277.75 g/mol, XLogP of 2.94, 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-3-ylmethyl)pyrazole is sourced from PubChem (CID 117231908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).