3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol

C14H28N4O — CID 81411037

IUPAC3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCN(CC)CCn1cc(NCC(C)(C)CO)cn1
InChIInChI=1S/C14H28N4O/c1-5-17(6-2)7-8-18-10-13(9-16-18)15-11-14(3,4)12-19/h9-10,15,19H,5-8,11-12H2,1-4H3
InChIKeyOAFZHGACJLGQEQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.66
Rot. Bonds9

About 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol

3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 81411037) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID81411037
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCN(CC)CCn1cc(NCC(C)(C)CO)cn1
InChIInChI=1S/C14H28N4O/c1-5-17(6-2)7-8-18-10-13(9-16-18)15-11-14(3,4)12-19/h9-10,15,19H,5-8,11-12H2,1-4H3
InChIKeyOAFZHGACJLGQEQ-UHFFFAOYSA-N
XLogP1.66
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol (CID 81411037) is 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol is CCN(CC)CCn1cc(NCC(C)(C)CO)cn1.
What is the InChIKey of 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is OAFZHGACJLGQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-17(6-2)7-8-18-10-13(9-16-18)15-11-14(3,4)12-19/h9-10,15,19H,5-8,11-12H2,1-4H3.
What are the key properties of 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 268.40 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).