1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine

C14H26N4O — CID 54866641

IUPAC1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCC2CCOC2)cn1
InChIInChI=1S/C14H26N4O/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h10-11,13,15H,3-9,12H2,1-2H3
InChIKeyCNNSBAPGPIDIMK-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.67
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine

1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine (PubChem CID 54866641) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
PubChem CID54866641
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCC2CCOC2)cn1
InChIInChI=1S/C14H26N4O/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h10-11,13,15H,3-9,12H2,1-2H3
InChIKeyCNNSBAPGPIDIMK-UHFFFAOYSA-N
XLogP1.67
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine (CID 54866641) is 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine is CCN(CC)CCn1cc(NCC2CCOC2)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine?
The InChIKey is CNNSBAPGPIDIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-17(4-2)6-7-18-11-14(10-16-18)15-9-13-5-8-19-12-13/h10-11,13,15H,3-9,12H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine?
1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine has a molecular weight of 266.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 54866641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).