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

C13H20N6O — CID 70769764

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H20N6O/c1-4-18-9-15-17-12(18)5-6-14-13(20)11-7-16-19(8-11)10(2)3/h7-10H,4-6H2,1-3H3,(H,14,20)
InChIKeyOKUWPUFTLYZMQS-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.05
Rot. Bonds6

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

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70769764) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70769764
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C13H20N6O/c1-4-18-9-15-17-12(18)5-6-14-13(20)11-7-16-19(8-11)10(2)3/h7-10H,4-6H2,1-3H3,(H,14,20)
InChIKeyOKUWPUFTLYZMQS-UHFFFAOYSA-N
XLogP1.05
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70769764) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide is CCn1cnnc1CCNC(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is OKUWPUFTLYZMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-18-9-15-17-12(18)5-6-14-13(20)11-7-16-19(8-11)10(2)3/h7-10H,4-6H2,1-3H3,(H,14,20).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70769764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).