N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide

C15H29N5O — CID 61452073

IUPACN,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
SMILESCCNCc1c(C)nn(C)c1N(C)CC(=O)N(CC)CC
InChIInChI=1S/C15H29N5O/c1-7-16-10-13-12(4)17-19(6)15(13)18(5)11-14(21)20(8-2)9-3/h16H,7-11H2,1-6H3
InChIKeyYJFWJQFVDKOKDM-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.14
Rot. Bonds8

About N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide

N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide (PubChem CID 61452073) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
PubChem CID61452073
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC NameN,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
SMILESCCNCc1c(C)nn(C)c1N(C)CC(=O)N(CC)CC
InChIInChI=1S/C15H29N5O/c1-7-16-10-13-12(4)17-19(6)15(13)18(5)11-14(21)20(8-2)9-3/h16H,7-11H2,1-6H3
InChIKeyYJFWJQFVDKOKDM-UHFFFAOYSA-N
XLogP1.14
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide (CID 61452073) is N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide is CCNCc1c(C)nn(C)c1N(C)CC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide?
The InChIKey is YJFWJQFVDKOKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-7-16-10-13-12(4)17-19(6)15(13)18(5)11-14(21)20(8-2)9-3/h16H,7-11H2,1-6H3.
What are the key properties of N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide?
N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide is sourced from PubChem (CID 61452073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).