N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide

C7H11N3O2 — CID 24780684

IUPACN,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(=O)n(C)[nH]1
InChIInChI=1S/C7H11N3O2/c1-9(2)7(12)5-4-6(11)10(3)8-5/h4,8H,1-3H3
InChIKeyYULGSZQRURJOLF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.58
Rot. Bonds1

About N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide

N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 24780684) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID24780684
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCN(C)C(=O)c1cc(=O)n(C)[nH]1
InChIInChI=1S/C7H11N3O2/c1-9(2)7(12)5-4-6(11)10(3)8-5/h4,8H,1-3H3
InChIKeyYULGSZQRURJOLF-UHFFFAOYSA-N
XLogP-0.58
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide (CID 24780684) is N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide is CN(C)C(=O)c1cc(=O)n(C)[nH]1.
What is the InChIKey of N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is YULGSZQRURJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-9(2)7(12)5-4-6(11)10(3)8-5/h4,8H,1-3H3.
What are the key properties of N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide?
N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24780684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).