1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide

C13H20N6O — CID 86784887

IUPAC1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2nnc(C(C)C)n2C)cn1
InChIInChI=1S/C13H20N6O/c1-5-19-8-10(6-15-19)13(20)14-7-11-16-17-12(9(2)3)18(11)4/h6,8-9H,5,7H2,1-4H3,(H,14,20)
InChIKeyCECNYSWJGYFUQT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.08
Rot. Bonds5

About 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide

1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 86784887) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID86784887
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2nnc(C(C)C)n2C)cn1
InChIInChI=1S/C13H20N6O/c1-5-19-8-10(6-15-19)13(20)14-7-11-16-17-12(9(2)3)18(11)4/h6,8-9H,5,7H2,1-4H3,(H,14,20)
InChIKeyCECNYSWJGYFUQT-UHFFFAOYSA-N
XLogP1.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide (CID 86784887) is 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCc2nnc(C(C)C)n2C)cn1.
What is the InChIKey of 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is CECNYSWJGYFUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-5-19-8-10(6-15-19)13(20)14-7-11-16-17-12(9(2)3)18(11)4/h6,8-9H,5,7H2,1-4H3,(H,14,20).
What are the key properties of 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide?
1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86784887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).