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

C15H28N4O — CID 115972346

IUPAC3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCN(CC)CCn1cc(NC2CC(O)C2(C)C)cn1
InChIInChI=1S/C15H28N4O/c1-5-18(6-2)7-8-19-11-12(10-16-19)17-13-9-14(20)15(13,3)4/h10-11,13-14,17,20H,5-9H2,1-4H3
InChIKeyBGOMOYXJNWKLNQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.80
Rot. Bonds7

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

3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 115972346) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID115972346
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCN(CC)CCn1cc(NC2CC(O)C2(C)C)cn1
InChIInChI=1S/C15H28N4O/c1-5-18(6-2)7-8-19-11-12(10-16-19)17-13-9-14(20)15(13,3)4/h10-11,13-14,17,20H,5-9H2,1-4H3
InChIKeyBGOMOYXJNWKLNQ-UHFFFAOYSA-N
XLogP1.80
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.80
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-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol (CID 115972346) is 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol is CCN(CC)CCn1cc(NC2CC(O)C2(C)C)cn1.
What is the InChIKey of 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is BGOMOYXJNWKLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-18(6-2)7-8-19-11-12(10-16-19)17-13-9-14(20)15(13,3)4/h10-11,13-14,17,20H,5-9H2,1-4H3.
What are the key properties of 3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 280.42 g/mol, XLogP of 1.80, 7 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-dimethylcyclobutan-1-ol is sourced from PubChem (CID 115972346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).