N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

C7H11N3O — CID 21136413

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C7H11N3O/c1-4-5(2)9-10-7(4)8-6(3)11/h1-3H3,(H2,8,9,10,11)
InChIKeyHSGQZKUDFJOBDL-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.98
Rot. Bonds1

About N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (PubChem CID 21136413) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
PubChem CID21136413
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C7H11N3O/c1-4-5(2)9-10-7(4)8-6(3)11/h1-3H3,(H2,8,9,10,11)
InChIKeyHSGQZKUDFJOBDL-UHFFFAOYSA-N
XLogP0.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide (CID 21136413) is N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is CC(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is HSGQZKUDFJOBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-5(2)9-10-7(4)8-6(3)11/h1-3H3,(H2,8,9,10,11).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 153.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 21136413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).