3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol

C11H17ClN2O2 — CID 114637906

IUPAC3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCOC1C
InChIInChI=1S/C11H17ClN2O2/c1-3-5-14-10(9(12)7-13-14)11(15)4-6-16-8(11)2/h7-8,15H,3-6H2,1-2H3
InChIKeyDZEXJMSUKWREIC-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.94
Rot. Bonds3

About 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol

3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol (PubChem CID 114637906) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
PubChem CID114637906
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCOC1C
InChIInChI=1S/C11H17ClN2O2/c1-3-5-14-10(9(12)7-13-14)11(15)4-6-16-8(11)2/h7-8,15H,3-6H2,1-2H3
InChIKeyDZEXJMSUKWREIC-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-1-propylpyrazol-5-yl)-3-methyloxan-4-ol
CID 114240715
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
1-(4-chloro-1-propylpyrazol-5-yl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114633090
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635799
2-methyl-3-[[(2-propylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 106100232
5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 114633273
2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane
CID 114657376
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
4-(4-bromo-1-propylpyrazol-5-yl)-2,6-dimethyloxan-4-ol
CID 114637699

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol?
The IUPAC name of 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol (CID 114637906) is 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol.
What is the SMILES notation for 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol?
The canonical SMILES for 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol is CCCn1ncc(Cl)c1C1(O)CCOC1C.
What is the InChIKey of 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol?
The InChIKey is DZEXJMSUKWREIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-3-5-14-10(9(12)7-13-14)11(15)4-6-16-8(11)2/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol?
3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol has a molecular weight of 244.72 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propylpyrazol-5-yl)-2-methyloxolan-3-ol is sourced from PubChem (CID 114637906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).