2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol

C15H30N4O — CID 63069953

IUPAC2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol
SMILESCc1nn(C)c(N(CCO)C(C)C)c1CNC(C)(C)C
InChIInChI=1S/C15H30N4O/c1-11(2)19(8-9-20)14-13(10-16-15(4,5)6)12(3)17-18(14)7/h11,16,20H,8-10H2,1-7H3
InChIKeyOHGPMWGOAJLNEJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.82
Rot. Bonds6

About 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol

2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol (PubChem CID 63069953) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol
PubChem CID63069953
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol
SMILESCc1nn(C)c(N(CCO)C(C)C)c1CNC(C)(C)C
InChIInChI=1S/C15H30N4O/c1-11(2)19(8-9-20)14-13(10-16-15(4,5)6)12(3)17-18(14)7/h11,16,20H,8-10H2,1-7H3
InChIKeyOHGPMWGOAJLNEJ-UHFFFAOYSA-N
XLogP1.82
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol (CID 63069953) is 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol is Cc1nn(C)c(N(CCO)C(C)C)c1CNC(C)(C)C.
What is the InChIKey of 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol?
The InChIKey is OHGPMWGOAJLNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-11(2)19(8-9-20)14-13(10-16-15(4,5)6)12(3)17-18(14)7/h11,16,20H,8-10H2,1-7H3.
What are the key properties of 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol?
2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol has a molecular weight of 282.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 63069953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).