[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol

C12H13ClN2O2 — CID 116801961

IUPAC[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
SMILESCCn1cc(Oc2ccc(CO)cc2Cl)cn1
InChIInChI=1S/C12H13ClN2O2/c1-2-15-7-10(6-14-15)17-12-4-3-9(8-16)5-11(12)13/h3-7,16H,2,8H2,1H3
InChIKeyMXDURHVSHIRGOM-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.84
Rot. Bonds4

About [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol

[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol (PubChem CID 116801961) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
PubChem CID116801961
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
SMILESCCn1cc(Oc2ccc(CO)cc2Cl)cn1
InChIInChI=1S/C12H13ClN2O2/c1-2-15-7-10(6-14-15)17-12-4-3-9(8-16)5-11(12)13/h3-7,16H,2,8H2,1H3
InChIKeyMXDURHVSHIRGOM-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 116802117
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116802102
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802209
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]ethanol
CID 116801948
(E)-3-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]prop-2-enoic acid
CID 116802431
4-[2-chloro-4-(chloromethyl)phenoxy]-1-methylpyrazole
CID 116793035
[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 66825550
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol
CID 114846259
4-[[2-chloro-4-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62126933
4-(1-ethylpyrazol-4-yl)oxy-3-fluoroaniline
CID 116800238
5-bromo-2-(1-ethylpyrazol-4-yl)oxybenzoic acid
CID 114896196

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol?
The IUPAC name of [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol (CID 116801961) is [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol?
The canonical SMILES for [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol is CCn1cc(Oc2ccc(CO)cc2Cl)cn1.
What is the InChIKey of [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol?
The InChIKey is MXDURHVSHIRGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-15-7-10(6-14-15)17-12-4-3-9(8-16)5-11(12)13/h3-7,16H,2,8H2,1H3.
What are the key properties of [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol?
[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol has a molecular weight of 252.70 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 116801961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).