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

C17H24N8O — CID 56754415

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCn1cnnc1CN(C)C(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1
InChIInChI=1S/C17H24N8O/c1-5-24-11-19-22-15(24)10-23(4)17(26)14-8-13(20-21-14)9-25-7-6-18-16(25)12(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,20,21)
InChIKeyYXOKRPTWBLAGPH-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.66
Rot. Bonds7

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56754415) has the molecular formula C17H24N8O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID56754415
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCn1cnnc1CN(C)C(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1
InChIInChI=1S/C17H24N8O/c1-5-24-11-19-22-15(24)10-23(4)17(26)14-8-13(20-21-14)9-25-7-6-18-16(25)12(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,20,21)
InChIKeyYXOKRPTWBLAGPH-UHFFFAOYSA-N
XLogP1.66
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (CID 56754415) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is CCn1cnnc1CN(C)C(=O)c1cc(Cn2ccnc2C(C)C)[nH]n1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YXOKRPTWBLAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O/c1-5-24-11-19-22-15(24)10-23(4)17(26)14-8-13(20-21-14)9-25-7-6-18-16(25)12(2)3/h6-8,11-12H,5,9-10H2,1-4H3,(H,20,21).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56754415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).