3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

C11H21N3O — CID 64813458

IUPAC3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCCNC(CCO)c1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3O/c1-5-12-10(6-7-15)11-8(2)13-14(4)9(11)3/h10,12,15H,5-7H2,1-4H3
InChIKeyNSKQNDUJRPKJRH-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.07
Rot. Bonds5

About 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (PubChem CID 64813458) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
PubChem CID64813458
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCCNC(CCO)c1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3O/c1-5-12-10(6-7-15)11-8(2)13-14(4)9(11)3/h10,12,15H,5-7H2,1-4H3
InChIKeyNSKQNDUJRPKJRH-UHFFFAOYSA-N
XLogP1.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (CID 64813458) is 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is CCNC(CCO)c1c(C)nn(C)c1C.
What is the InChIKey of 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is NSKQNDUJRPKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-12-10(6-7-15)11-8(2)13-14(4)9(11)3/h10,12,15H,5-7H2,1-4H3.
What are the key properties of 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 64813458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).