2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol

C12H22ClN3O — CID 114665868

IUPAC2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Cl)c1C(O)CNC(C)(C)C
InChIInChI=1S/C12H22ClN3O/c1-5-6-16-11(9(13)7-15-16)10(17)8-14-12(2,3)4/h7,10,14,17H,5-6,8H2,1-4H3
InChIKeyQFZVQXNXGHNCRY-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.37
Rot. Bonds5

About 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol

2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol (PubChem CID 114665868) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
PubChem CID114665868
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(Cl)c1C(O)CNC(C)(C)C
InChIInChI=1S/C12H22ClN3O/c1-5-6-16-11(9(13)7-15-16)10(17)8-14-12(2,3)4/h7,10,14,17H,5-6,8H2,1-4H3
InChIKeyQFZVQXNXGHNCRY-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
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
2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114643271
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031
[1-(4-chloro-1-propylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105337258
1-(4-chloro-1-propylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927699
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol (CID 114665868) is 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol is CCCn1ncc(Cl)c1C(O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
The InChIKey is QFZVQXNXGHNCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O/c1-5-6-16-11(9(13)7-15-16)10(17)8-14-12(2,3)4/h7,10,14,17H,5-6,8H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol?
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol has a molecular weight of 259.78 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114665868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).