5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol

C13H24ClN3O — CID 64811702

IUPAC5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C13H24ClN3O/c1-5-15-13(4,9-18)7-6-8-17-11(3)12(14)10(2)16-17/h15,18H,5-9H2,1-4H3
InChIKeyATEGEOYPEZQQAL-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.29
Rot. Bonds7

About 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol

5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64811702) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64811702
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CCCn1nc(C)c(Cl)c1C
InChIInChI=1S/C13H24ClN3O/c1-5-15-13(4,9-18)7-6-8-17-11(3)12(14)10(2)16-17/h15,18H,5-9H2,1-4H3
InChIKeyATEGEOYPEZQQAL-UHFFFAOYSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64810240
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809977
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809979
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropan-2-amine
CID 62128524
2-(ethylamino)-2-methyl-5-(5-methylpyrazol-1-yl)pentan-1-ol
CID 64809273
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64810713
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64811279
2-methyl-2-(methylamino)-6-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
CID 64810087
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpropanamide
CID 62128361
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylhexanamide
CID 62130053
2-(ethylamino)-5-imidazol-1-yl-2-methylpentan-1-ol
CID 64809006
1-(4-bromobutyl)-4-chloro-3,5-dimethylpyrazole
CID 62131028

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol (CID 64811702) is 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CCCn1nc(C)c(Cl)c1C.
What is the InChIKey of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is ATEGEOYPEZQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-5-15-13(4,9-18)7-6-8-17-11(3)12(14)10(2)16-17/h15,18H,5-9H2,1-4H3.
What are the key properties of 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 273.81 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64811702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).