3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine

C15H12ClN3O — CID 117232501

IUPAC3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
SMILESClc1c(OCc2ccccc2)cnn1-c1cccnc1
InChIInChI=1S/C15H12ClN3O/c16-15-14(20-11-12-5-2-1-3-6-12)10-18-19(15)13-7-4-8-17-9-13/h1-10H,11H2
InChIKeyMIJQKDSZJDKUNB-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.50
Rot. Bonds4

About 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine

3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine (PubChem CID 117232501) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
PubChem CID117232501
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
SMILESClc1c(OCc2ccccc2)cnn1-c1cccnc1
InChIInChI=1S/C15H12ClN3O/c16-15-14(20-11-12-5-2-1-3-6-12)10-18-19(15)13-7-4-8-17-9-13/h1-10H,11H2
InChIKeyMIJQKDSZJDKUNB-UHFFFAOYSA-N
XLogP3.50
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-4-methylpyrazol-1-yl)pyridine
CID 19757098
3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
CID 70926048
2-(1-phenyl-4-phenylmethoxypyrazol-5-yl)pyridine
CID 174767188
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
5-chloro-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyrazole
CID 117232675
5-chloro-4-phenylmethoxy-1-(thiolan-2-ylmethyl)pyrazole
CID 117232231
(5-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamic acid
CID 67499904
5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole
CID 117231838
1-(3-chloro-4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 17157336
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine?
The IUPAC name of 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine (CID 117232501) is 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine.
What is the SMILES notation for 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine?
The canonical SMILES for 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine is Clc1c(OCc2ccccc2)cnn1-c1cccnc1.
What is the InChIKey of 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine?
The InChIKey is MIJQKDSZJDKUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-15-14(20-11-12-5-2-1-3-6-12)10-18-19(15)13-7-4-8-17-9-13/h1-10H,11H2.
What are the key properties of 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine?
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine has a molecular weight of 285.73 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine is sourced from PubChem (CID 117232501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).