5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole

C15H17ClN2OS — CID 117232231

IUPAC5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole
SMILESClc1c(OCc2ccccc2)cnn1CC1CCCS1
InChIInChI=1S/C15H17ClN2OS/c16-15-14(19-11-12-5-2-1-3-6-12)9-17-18(15)10-13-7-4-8-20-13/h1-3,5-6,9,13H,4,7-8,10-11H2
InChIKeyGKWWNLPFGJNGCU-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.01
Rot. Bonds5

About 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole

5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole (PubChem CID 117232231) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole
PubChem CID117232231
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole
SMILESClc1c(OCc2ccccc2)cnn1CC1CCCS1
InChIInChI=1S/C15H17ClN2OS/c16-15-14(19-11-12-5-2-1-3-6-12)9-17-18(15)10-13-7-4-8-20-13/h1-3,5-6,9,13H,4,7-8,10-11H2
InChIKeyGKWWNLPFGJNGCU-UHFFFAOYSA-N
XLogP4.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole
CID 117232675
5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole
CID 117231838
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
CID 117232501
2-chloro-1-cyclopropyl-3-phenylmethoxypyridin-1-ium
CID 150047409
5,7-dichloro-6-(2-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 22440098
4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232690
1-(thiolan-2-ylmethyl)benzotriazole-4-carboxylic acid
CID 115541979
2-[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]-1,3-dithiane
CID 19989566
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065
2-(1-phenyl-4-phenylmethoxypyrazol-5-yl)pyridine
CID 174767188
6-methyl-3-phenylmethoxypyrazolo[1,5-a]pyridine
CID 164559312
4-chloro-3-iodo-5-phenylmethoxypyridine
CID 23642584

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole?
The IUPAC name of 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole (CID 117232231) is 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole?
The canonical SMILES for 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole is Clc1c(OCc2ccccc2)cnn1CC1CCCS1.
What is the InChIKey of 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole?
The InChIKey is GKWWNLPFGJNGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-15-14(19-11-12-5-2-1-3-6-12)9-17-18(15)10-13-7-4-8-20-13/h1-3,5-6,9,13H,4,7-8,10-11H2.
What are the key properties of 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole?
5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole has a molecular weight of 308.83 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole is sourced from PubChem (CID 117232231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).