N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide

C13H19N5O — CID 46988872

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cn1ccnc1
InChIInChI=1S/C13H19N5O/c1-13(2,3)10-7-11(17(4)16-10)15-12(19)8-18-6-5-14-9-18/h5-7,9H,8H2,1-4H3,(H,15,19)
InChIKeyRFPTZBGPWODYEW-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.55
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide (PubChem CID 46988872) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide
PubChem CID46988872
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)Cn1ccnc1
InChIInChI=1S/C13H19N5O/c1-13(2,3)10-7-11(17(4)16-10)15-12(19)8-18-6-5-14-9-18/h5-7,9H,8H2,1-4H3,(H,15,19)
InChIKeyRFPTZBGPWODYEW-UHFFFAOYSA-N
XLogP1.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide (CID 46988872) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide is Cn1nc(C(C)(C)C)cc1NC(=O)Cn1ccnc1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide?
The InChIKey is RFPTZBGPWODYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-13(2,3)10-7-11(17(4)16-10)15-12(19)8-18-6-5-14-9-18/h5-7,9H,8H2,1-4H3,(H,15,19).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide has a molecular weight of 261.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-imidazol-1-ylacetamide is sourced from PubChem (CID 46988872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).