3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol

C14H27N3O — CID 113293722

IUPAC3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCCn1nc(C)c(C(C)NCC(C)(C)CO)c1C
InChIInChI=1S/C14H27N3O/c1-7-17-12(4)13(11(3)16-17)10(2)15-8-14(5,6)9-18/h10,15,18H,7-9H2,1-6H3
InChIKeyYPGSLOUJLPRGCD-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.19
Rot. Bonds6

About 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol

3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol (PubChem CID 113293722) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
PubChem CID113293722
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
SMILESCCn1nc(C)c(C(C)NCC(C)(C)CO)c1C
InChIInChI=1S/C14H27N3O/c1-7-17-12(4)13(11(3)16-17)10(2)15-8-14(5,6)9-18/h10,15,18H,7-9H2,1-6H3
InChIKeyYPGSLOUJLPRGCD-UHFFFAOYSA-N
XLogP2.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol (CID 113293722) is 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol is CCn1nc(C)c(C(C)NCC(C)(C)CO)c1C.
What is the InChIKey of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is YPGSLOUJLPRGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-17-12(4)13(11(3)16-17)10(2)15-8-14(5,6)9-18/h10,15,18H,7-9H2,1-6H3.
What are the key properties of 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol?
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 113293722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).