5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole

C15H17ClN2O2 — CID 117231838

IUPAC5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole
SMILESClc1c(OCc2ccccc2)cnn1C1CCOCC1
InChIInChI=1S/C15H17ClN2O2/c16-15-14(20-11-12-4-2-1-3-5-12)10-17-18(15)13-6-8-19-9-7-13/h1-5,10,13H,6-9,11H2
InChIKeyBBRHMZFTQFNBKJ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.47
Rot. Bonds4

About 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole

5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole (PubChem CID 117231838) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole.

Molecular Properties

Compound Name5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole
PubChem CID117231838
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole
SMILESClc1c(OCc2ccccc2)cnn1C1CCOCC1
InChIInChI=1S/C15H17ClN2O2/c16-15-14(20-11-12-4-2-1-3-5-12)10-17-18(15)13-6-8-19-9-7-13/h1-5,10,13H,6-9,11H2
InChIKeyBBRHMZFTQFNBKJ-UHFFFAOYSA-N
XLogP3.47
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole
CID 117232231
4-phenylmethoxyoxane
CID 66554133
5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole
CID 117232675
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
CID 117232501
4-(oxan-4-yloxy)-3-phenylmethoxyaniline
CID 146026850
2-amino-2-(oxan-4-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 120788670
1-(1-methylpiperidin-3-yl)-4-phenylmethoxypyrazole-5-carboxylic acid
CID 117232065
5-bromo-1-(oxolan-3-yl)-4-phenoxypyrazole
CID 117231769
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159776
4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile
CID 162731710
5-(4-chlorophenyl)-4-[(5-fluoro-2-phenylmethoxyphenyl)-hydroxymethylidene]-1-(oxan-4-yl)pyrrolidine-2,3-dione
CID 172809942
1-benzyl-4-(oxan-4-ylmethoxy)pyrazole
CID 117233849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole?
The IUPAC name of 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole (CID 117231838) is 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole.
What is the SMILES notation for 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole?
The canonical SMILES for 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole is Clc1c(OCc2ccccc2)cnn1C1CCOCC1.
What is the InChIKey of 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole?
The InChIKey is BBRHMZFTQFNBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-15-14(20-11-12-4-2-1-3-5-12)10-17-18(15)13-6-8-19-9-7-13/h1-5,10,13H,6-9,11H2.
What are the key properties of 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole?
5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole has a molecular weight of 292.77 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole is sourced from PubChem (CID 117231838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).