4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole

C12H13ClN2O — CID 64764542

IUPAC4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
SMILESCCn1cc(COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H13ClN2O/c1-2-15-8-10(7-14-15)9-16-12-5-3-11(13)4-6-12/h3-8H,2,9H2,1H3
InChIKeyBBCPWOORPXQDCQ-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.14
Rot. Bonds4

About 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole

4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole (PubChem CID 64764542) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
PubChem CID64764542
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
SMILESCCn1cc(COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H13ClN2O/c1-2-15-8-10(7-14-15)9-16-12-5-3-11(13)4-6-12/h3-8H,2,9H2,1H3
InChIKeyBBCPWOORPXQDCQ-UHFFFAOYSA-N
XLogP3.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
[2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 102723760
[5-[(1-ethylpyrazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799636
2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide
CID 169367117
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63063064
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 102724414
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
3-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenol
CID 107679822

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole (CID 64764542) is 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole is CCn1cc(COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole?
The InChIKey is BBCPWOORPXQDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-15-8-10(7-14-15)9-16-12-5-3-11(13)4-6-12/h3-8H,2,9H2,1H3.
What are the key properties of 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole?
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole has a molecular weight of 236.70 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole is sourced from PubChem (CID 64764542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).