2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide

C13H18N6O2 — CID 12073843

IUPAC2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2cc(C)[nH]n2)n[nH]1
InChIInChI=1S/C13H18N6O2/c1-7-5-9(18-16-7)14-11(20)13(3,4)12(21)15-10-6-8(2)17-19-10/h5-6H,1-4H3,(H2,14,16,18,20)(H2,15,17,19,21)
InChIKeyUYCWVGOLQADCEM-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.35
Rot. Bonds4

About 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide

2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide (PubChem CID 12073843) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide
PubChem CID12073843
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)C(C)(C)C(=O)Nc2cc(C)[nH]n2)n[nH]1
InChIInChI=1S/C13H18N6O2/c1-7-5-9(18-16-7)14-11(20)13(3,4)12(21)15-10-6-8(2)17-19-10/h5-6H,1-4H3,(H2,14,16,18,20)(H2,15,17,19,21)
InChIKeyUYCWVGOLQADCEM-UHFFFAOYSA-N
XLogP1.35
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide?
The IUPAC name of 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide (CID 12073843) is 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide is Cc1cc(NC(=O)C(C)(C)C(=O)Nc2cc(C)[nH]n2)n[nH]1.
What is the InChIKey of 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide?
The InChIKey is UYCWVGOLQADCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-7-5-9(18-16-7)14-11(20)13(3,4)12(21)15-10-6-8(2)17-19-10/h5-6H,1-4H3,(H2,14,16,18,20)(H2,15,17,19,21).
What are the key properties of 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide?
2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide has a molecular weight of 290.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N'-bis(5-methyl-1H-pyrazol-3-yl)propanediamide is sourced from PubChem (CID 12073843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).