1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol

C11H19ClN2O2 — CID 105128502

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
SMILESCCCn1ncc(Cl)c1C(O)CCOCC
InChIInChI=1S/C11H19ClN2O2/c1-3-6-14-11(9(12)8-13-14)10(15)5-7-16-4-2/h8,10,15H,3-7H2,1-2H3
InChIKeyFBAAXVUEYFQQHJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.41
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol

1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol (PubChem CID 105128502) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
PubChem CID105128502
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
SMILESCCCn1ncc(Cl)c1C(O)CCOCC
InChIInChI=1S/C11H19ClN2O2/c1-3-6-14-11(9(12)8-13-14)10(15)5-7-16-4-2/h8,10,15H,3-7H2,1-2H3
InChIKeyFBAAXVUEYFQQHJ-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927699
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methoxyethoxy)propan-1-ol
CID 102927629
1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644612
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
CID 114644164
2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114643271
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-ethoxybutan-1-ol
CID 105128291
1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol
CID 114642988
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
CID 105132601
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol (CID 105128502) is 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol is CCCn1ncc(Cl)c1C(O)CCOCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol?
The InChIKey is FBAAXVUEYFQQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-3-6-14-11(9(12)8-13-14)10(15)5-7-16-4-2/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol?
1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol has a molecular weight of 246.74 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol is sourced from PubChem (CID 105128502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).