[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol

C13H15ClN2O2 — CID 114846259

IUPAC[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol
SMILESCCCn1cc(Oc2cc(Cl)ccc2CO)cn1
InChIInChI=1S/C13H15ClN2O2/c1-2-5-16-8-12(7-15-16)18-13-6-11(14)4-3-10(13)9-17/h3-4,6-8,17H,2,5,9H2,1H3
InChIKeyHIRCULDIKSSJOY-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.23
Rot. Bonds5

About [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol

[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol (PubChem CID 114846259) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol
PubChem CID114846259
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol
SMILESCCCn1cc(Oc2cc(Cl)ccc2CO)cn1
InChIInChI=1S/C13H15ClN2O2/c1-2-5-16-8-12(7-15-16)18-13-6-11(14)4-3-10(13)9-17/h3-4,6-8,17H,2,5,9H2,1H3
InChIKeyHIRCULDIKSSJOY-UHFFFAOYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857848
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
1-[5-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857852
N-[[4-chloro-2-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 114857831
4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
CID 114054833
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
[2-(1-propylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116802650
[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methanol
CID 116801961
[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol
CID 116802649
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
CID 116802284

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol?
The IUPAC name of [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol (CID 114846259) is [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol?
The canonical SMILES for [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol is CCCn1cc(Oc2cc(Cl)ccc2CO)cn1.
What is the InChIKey of [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol?
The InChIKey is HIRCULDIKSSJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-5-16-8-12(7-15-16)18-13-6-11(14)4-3-10(13)9-17/h3-4,6-8,17H,2,5,9H2,1H3.
What are the key properties of [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol?
[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol has a molecular weight of 266.73 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 114846259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).