2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide

C13H19N7O — CID 91790852

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1cc(N)n(CC(=O)NC(c2ncnn2C)C2CC2)n1
InChIInChI=1S/C13H19N7O/c1-8-5-10(14)20(18-8)6-11(21)17-12(9-3-4-9)13-15-7-16-19(13)2/h5,7,9,12H,3-4,6,14H2,1-2H3,(H,17,21)
InChIKeyDDRMFQKRWGUVCX-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.17
Rot. Bonds5

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 91790852) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID91790852
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1cc(N)n(CC(=O)NC(c2ncnn2C)C2CC2)n1
InChIInChI=1S/C13H19N7O/c1-8-5-10(14)20(18-8)6-11(21)17-12(9-3-4-9)13-15-7-16-19(13)2/h5,7,9,12H,3-4,6,14H2,1-2H3,(H,17,21)
InChIKeyDDRMFQKRWGUVCX-UHFFFAOYSA-N
XLogP0.17
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 91790852) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide is Cc1cc(N)n(CC(=O)NC(c2ncnn2C)C2CC2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is DDRMFQKRWGUVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-8-5-10(14)20(18-8)6-11(21)17-12(9-3-4-9)13-15-7-16-19(13)2/h5,7,9,12H,3-4,6,14H2,1-2H3,(H,17,21).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[cyclopropyl-(2-methyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 91790852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).