4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol

C15H26ClN3O2 — CID 114635870

IUPAC4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(c2c(Cl)cnn2CCN(C)C)CCO1
InChIInChI=1S/C15H26ClN3O2/c1-5-14(2)11-15(20,6-9-21-14)13-12(16)10-17-19(13)8-7-18(3)4/h10,20H,5-9,11H2,1-4H3
InChIKeyKCYMQMWLEHUCIQ-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.26
Rot. Bonds5

About 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol

4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol (PubChem CID 114635870) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol.

Molecular Properties

Compound Name4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
PubChem CID114635870
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
SMILESCCC1(C)CC(O)(c2c(Cl)cnn2CCN(C)C)CCO1
InChIInChI=1S/C15H26ClN3O2/c1-5-14(2)11-15(20,6-9-21-14)13-12(16)10-17-19(13)8-7-18(3)4/h10,20H,5-9,11H2,1-4H3
InChIKeyKCYMQMWLEHUCIQ-UHFFFAOYSA-N
XLogP2.26
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
CID 114633263
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol
CID 114635862
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-propan-2-ylpiperidin-4-ol
CID 114633711
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-5-methylthiolan-3-ol
CID 114636853
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylthian-3-ol
CID 114636880
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpyrrolidin-3-ol
CID 114633883
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635852
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4,4-dimethylcyclohexan-1-ol
CID 114635932
2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658260
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone
CID 114669093
4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethyloxan-4-ol
CID 114635847

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol?
The IUPAC name of 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol (CID 114635870) is 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol.
What is the SMILES notation for 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol?
The canonical SMILES for 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol is CCC1(C)CC(O)(c2c(Cl)cnn2CCN(C)C)CCO1.
What is the InChIKey of 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol?
The InChIKey is KCYMQMWLEHUCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O2/c1-5-14(2)11-15(20,6-9-21-14)13-12(16)10-17-19(13)8-7-18(3)4/h10,20H,5-9,11H2,1-4H3.
What are the key properties of 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol?
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol has a molecular weight of 315.85 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methyloxan-4-ol is sourced from PubChem (CID 114635870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).