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

C17H25N7O — CID 167752647

IUPAC2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
SMILESCN1CCC(n2cc(NC(=O)Cc3nc(C4CC4)nn3C)cn2)CC1
InChIInChI=1S/C17H25N7O/c1-22-7-5-14(6-8-22)24-11-13(10-18-24)19-16(25)9-15-20-17(12-3-4-12)21-23(15)2/h10-12,14H,3-9H2,1-2H3,(H,19,25)
InChIKeyLVWDFLMPXKHRTO-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.34
Rot. Bonds5

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

2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide (PubChem CID 167752647) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
PubChem CID167752647
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
SMILESCN1CCC(n2cc(NC(=O)Cc3nc(C4CC4)nn3C)cn2)CC1
InChIInChI=1S/C17H25N7O/c1-22-7-5-14(6-8-22)24-11-13(10-18-24)19-16(25)9-15-20-17(12-3-4-12)21-23(15)2/h10-12,14H,3-9H2,1-2H3,(H,19,25)
InChIKeyLVWDFLMPXKHRTO-UHFFFAOYSA-N
XLogP1.34
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide (CID 167752647) is 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide is CN1CCC(n2cc(NC(=O)Cc3nc(C4CC4)nn3C)cn2)CC1.
What is the InChIKey of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is LVWDFLMPXKHRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-22-7-5-14(6-8-22)24-11-13(10-18-24)19-16(25)9-15-20-17(12-3-4-12)21-23(15)2/h10-12,14H,3-9H2,1-2H3,(H,19,25).
What are the key properties of 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide?
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 343.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 167752647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).