2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide

C17H20N6O2 — CID 91765352

IUPAC2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1
InChIInChI=1S/C17H20N6O2/c1-11-14(4-7-25-11)17(24)19-13-8-12(9-13)16-21-20-15(22(16)2)10-23-6-3-5-18-23/h3-7,12-13H,8-10H2,1-2H3,(H,19,24)
InChIKeyATPQEWQXAILAPX-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.64
Rot. Bonds5

About 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide

2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide (PubChem CID 91765352) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide
PubChem CID91765352
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1
InChIInChI=1S/C17H20N6O2/c1-11-14(4-7-25-11)17(24)19-13-8-12(9-13)16-21-20-15(22(16)2)10-23-6-3-5-18-23/h3-7,12-13H,8-10H2,1-2H3,(H,19,24)
InChIKeyATPQEWQXAILAPX-UHFFFAOYSA-N
XLogP1.64
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide (CID 91765352) is 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide is Cc1occc1C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1.
What is the InChIKey of 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide?
The InChIKey is ATPQEWQXAILAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11-14(4-7-25-11)17(24)19-13-8-12(9-13)16-21-20-15(22(16)2)10-23-6-3-5-18-23/h3-7,12-13H,8-10H2,1-2H3,(H,19,24).
What are the key properties of 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide?
2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]furan-3-carboxamide is sourced from PubChem (CID 91765352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).