4-chloro-1-phenylmethoxypyrazole

C10H9ClN2O — CID 91619331

IUPAC4-chloro-1-phenylmethoxypyrazole
SMILESClc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C10H9ClN2O/c11-10-6-12-13(7-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNEZRZLCCIASMRT-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.17
Rot. Bonds3

About 4-chloro-1-phenylmethoxypyrazole

4-chloro-1-phenylmethoxypyrazole (PubChem CID 91619331) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-chloro-1-phenylmethoxypyrazole.

Molecular Properties

Compound Name4-chloro-1-phenylmethoxypyrazole
PubChem CID91619331
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name4-chloro-1-phenylmethoxypyrazole
SMILESClc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C10H9ClN2O/c11-10-6-12-13(7-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyNEZRZLCCIASMRT-UHFFFAOYSA-N
XLogP2.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-phenylmethoxypyrazole
CID 119082094
1-phenylmethoxypyrazole-4-carbonitrile
CID 10703150
2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
4,5-dibromo-1-phenylmethoxypyrazole
CID 10314667
N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine
CID 11825063
1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
CID 14882325
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
3,4-diphenyl-1-phenylmethoxypyrrole
CID 141397574
3-chloro-6-methyl-4-phenylmethoxy-1,2,4-oxadiazine
CID 174888088
2-(2-chloro-3-phenylmethoxyimidazol-4-yl)acetonitrile
CID 91623201
2-(4-chloropyrazol-1-yl)-2-methyl-3-phenylpropanamide
CID 151584015
5-chloro-1-(1-phenylmethoxyethyl)pyrimidin-2-one
CID 15650482

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-phenylmethoxypyrazole?
The IUPAC name of 4-chloro-1-phenylmethoxypyrazole (CID 91619331) is 4-chloro-1-phenylmethoxypyrazole.
What is the SMILES notation for 4-chloro-1-phenylmethoxypyrazole?
The canonical SMILES for 4-chloro-1-phenylmethoxypyrazole is Clc1cnn(OCc2ccccc2)c1.
What is the InChIKey of 4-chloro-1-phenylmethoxypyrazole?
The InChIKey is NEZRZLCCIASMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-10-6-12-13(7-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 4-chloro-1-phenylmethoxypyrazole?
4-chloro-1-phenylmethoxypyrazole has a molecular weight of 208.65 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenylmethoxypyrazole is sourced from PubChem (CID 91619331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).