N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide

C14H27N5O — CID 75444013

IUPACN-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide
SMILESCN(C)CCNC(=O)Cn1cc(NCC(C)(C)C)cn1
InChIInChI=1S/C14H27N5O/c1-14(2,3)11-16-12-8-17-19(9-12)10-13(20)15-6-7-18(4)5/h8-9,16H,6-7,10-11H2,1-5H3,(H,15,20)
InChIKeyKVIIOPUIJZONJL-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.02
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide (PubChem CID 75444013) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide
PubChem CID75444013
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide
SMILESCN(C)CCNC(=O)Cn1cc(NCC(C)(C)C)cn1
InChIInChI=1S/C14H27N5O/c1-14(2,3)11-16-12-8-17-19(9-12)10-13(20)15-6-7-18(4)5/h8-9,16H,6-7,10-11H2,1-5H3,(H,15,20)
InChIKeyKVIIOPUIJZONJL-UHFFFAOYSA-N
XLogP1.02
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide (CID 75444013) is N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide is CN(C)CCNC(=O)Cn1cc(NCC(C)(C)C)cn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide?
The InChIKey is KVIIOPUIJZONJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-14(2,3)11-16-12-8-17-19(9-12)10-13(20)15-6-7-18(4)5/h8-9,16H,6-7,10-11H2,1-5H3,(H,15,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 75444013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).