1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol

C9H15ClN2O2 — CID 103452617

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
SMILESCCCn1ncc(Cl)c1C(O)C(C)O
InChIInChI=1S/C9H15ClN2O2/c1-3-4-12-8(7(10)5-11-12)9(14)6(2)13/h5-6,9,13-14H,3-4H2,1-2H3
InChIKeyKLWMSXSKAXWAKY-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.36
Rot. Bonds4

About 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol

1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol (PubChem CID 103452617) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
PubChem CID103452617
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
SMILESCCCn1ncc(Cl)c1C(O)C(C)O
InChIInChI=1S/C9H15ClN2O2/c1-3-4-12-8(7(10)5-11-12)9(14)6(2)13/h5-6,9,13-14H,3-4H2,1-2H3
InChIKeyKLWMSXSKAXWAKY-UHFFFAOYSA-N
XLogP1.36
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868
1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
CID 105128502
1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644612
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol (CID 103452617) is 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol is CCCn1ncc(Cl)c1C(O)C(C)O.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol?
The InChIKey is KLWMSXSKAXWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-3-4-12-8(7(10)5-11-12)9(14)6(2)13/h5-6,9,13-14H,3-4H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol?
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol has a molecular weight of 218.68 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol is sourced from PubChem (CID 103452617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).