N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C13H19N5O — CID 77098054

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCCc2cnc[nH]2)c(C)c1C
InChIInChI=1S/C13H19N5O/c1-9-10(2)17-18(11(9)3)7-13(19)15-5-4-12-6-14-8-16-12/h6,8H,4-5,7H2,1-3H3,(H,14,16)(H,15,19)
InChIKeyLZWISIFTKVMNJY-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.89
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 77098054) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID77098054
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NCCc2cnc[nH]2)c(C)c1C
InChIInChI=1S/C13H19N5O/c1-9-10(2)17-18(11(9)3)7-13(19)15-5-4-12-6-14-8-16-12/h6,8H,4-5,7H2,1-3H3,(H,14,16)(H,15,19)
InChIKeyLZWISIFTKVMNJY-UHFFFAOYSA-N
XLogP0.89
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 77098054) is N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)NCCc2cnc[nH]2)c(C)c1C.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is LZWISIFTKVMNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-10(2)17-18(11(9)3)7-13(19)15-5-4-12-6-14-8-16-12/h6,8H,4-5,7H2,1-3H3,(H,14,16)(H,15,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 261.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 77098054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).