4-ethyl-1-phenylmethoxypyrazole

C12H14N2O — CID 119082094

IUPAC4-ethyl-1-phenylmethoxypyrazole
SMILESCCc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C12H14N2O/c1-2-11-8-13-14(9-11)15-10-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyLLKRLVHFKWVFNS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.07
Rot. Bonds4

About 4-ethyl-1-phenylmethoxypyrazole

4-ethyl-1-phenylmethoxypyrazole (PubChem CID 119082094) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-ethyl-1-phenylmethoxypyrazole.

Molecular Properties

Compound Name4-ethyl-1-phenylmethoxypyrazole
PubChem CID119082094
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-ethyl-1-phenylmethoxypyrazole
SMILESCCc1cnn(OCc2ccccc2)c1
InChIInChI=1S/C12H14N2O/c1-2-11-8-13-14(9-11)15-10-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyLLKRLVHFKWVFNS-UHFFFAOYSA-N
XLogP2.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-phenylmethoxypyrazole
CID 91619331
1-phenylmethoxypyrazole-4-carbonitrile
CID 10703150
N-(4-methylphenyl)-N'-[2-(1-phenylmethoxypyrazol-4-yl)phenyl]methanediimine
CID 11825063
ethane;4-ethyl-1-methylpyrazole
CID 143829284
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
ethylcyclodecapentaene
CID 90861705
2-chloro-4-methyl-1-phenylmethoxyimidazole
CID 10867903
(4-methyl-1-phenylmethoxypyrazol-5-yl)methanol
CID 10965992
4,5-dibromo-1-phenylmethoxypyrazole
CID 10314667
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
ethane;ethylbenzene
CID 90887003
sulfanium ethylbenzene
CID 22726309

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenylmethoxypyrazole?
The IUPAC name of 4-ethyl-1-phenylmethoxypyrazole (CID 119082094) is 4-ethyl-1-phenylmethoxypyrazole.
What is the SMILES notation for 4-ethyl-1-phenylmethoxypyrazole?
The canonical SMILES for 4-ethyl-1-phenylmethoxypyrazole is CCc1cnn(OCc2ccccc2)c1.
What is the InChIKey of 4-ethyl-1-phenylmethoxypyrazole?
The InChIKey is LLKRLVHFKWVFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-11-8-13-14(9-11)15-10-12-6-4-3-5-7-12/h3-9H,2,10H2,1H3.
What are the key properties of 4-ethyl-1-phenylmethoxypyrazole?
4-ethyl-1-phenylmethoxypyrazole has a molecular weight of 202.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenylmethoxypyrazole is sourced from PubChem (CID 119082094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).