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

C11H17ClN2O2 — CID 103456755

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
SMILESCCCn1ncc(Cl)c1C(O)C(O)C1CC1
InChIInChI=1S/C11H17ClN2O2/c1-2-5-14-9(8(12)6-13-14)11(16)10(15)7-3-4-7/h6-7,10-11,15-16H,2-5H2,1H3
InChIKeyUYCIHOHFQJKOIK-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.75
Rot. Bonds5

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

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol (PubChem CID 103456755) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
PubChem CID103456755
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
SMILESCCCn1ncc(Cl)c1C(O)C(O)C1CC1
InChIInChI=1S/C11H17ClN2O2/c1-2-5-14-9(8(12)6-13-14)11(16)10(15)7-3-4-7/h6-7,10-11,15-16H,2-5H2,1H3
InChIKeyUYCIHOHFQJKOIK-UHFFFAOYSA-N
XLogP1.75
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459014
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 114661347
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
4-chloro-5-(3-chloro-3-cyclopropylpropyl)-1-propylpyrazole
CID 114665292

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol (CID 103456755) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol is CCCn1ncc(Cl)c1C(O)C(O)C1CC1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol?
The InChIKey is UYCIHOHFQJKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-2-5-14-9(8(12)6-13-14)11(16)10(15)7-3-4-7/h6-7,10-11,15-16H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol?
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol has a molecular weight of 244.72 g/mol, XLogP of 1.75, 5 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)-2-cyclopropylethane-1,2-diol is sourced from PubChem (CID 103456755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).