2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide

C18H27N7O — CID 72896291

IUPAC2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1
InChIInChI=1S/C18H27N7O/c1-22(2)17(26)13-23-10-6-14(7-11-23)18-21-20-16(25(18)15-4-5-15)12-24-9-3-8-19-24/h3,8-9,14-15H,4-7,10-13H2,1-2H3
InChIKeyKSVZZKROWHDPLC-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.13
Rot. Bonds6

About 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 72896291) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID72896291
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1
InChIInChI=1S/C18H27N7O/c1-22(2)17(26)13-23-10-6-14(7-11-23)18-21-20-16(25(18)15-4-5-15)12-24-9-3-8-19-24/h3,8-9,14-15H,4-7,10-13H2,1-2H3
InChIKeyKSVZZKROWHDPLC-UHFFFAOYSA-N
XLogP1.13
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide (CID 72896291) is 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1.
What is the InChIKey of 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is KSVZZKROWHDPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-22(2)17(26)13-23-10-6-14(7-11-23)18-21-20-16(25(18)15-4-5-15)12-24-9-3-8-19-24/h3,8-9,14-15H,4-7,10-13H2,1-2H3.
What are the key properties of 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 357.46 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-cyclopropyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 72896291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).