N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

C17H23N7O — CID 56747850

IUPACN-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NCC(C)n2ccnc2)n[nH]1
InChIInChI=1S/C17H23N7O/c1-12(2)16-19-5-7-23(16)10-14-8-15(22-21-14)17(25)20-9-13(3)24-6-4-18-11-24/h4-8,11-13H,9-10H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyRURYEXWAXVQLDI-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.97
Rot. Bonds7

About N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56747850) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID56747850
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NCC(C)n2ccnc2)n[nH]1
InChIInChI=1S/C17H23N7O/c1-12(2)16-19-5-7-23(16)10-14-8-15(22-21-14)17(25)20-9-13(3)24-6-4-18-11-24/h4-8,11-13H,9-10H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyRURYEXWAXVQLDI-UHFFFAOYSA-N
XLogP1.97
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (CID 56747850) is N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)NCC(C)n2ccnc2)n[nH]1.
What is the InChIKey of N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RURYEXWAXVQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-12(2)16-19-5-7-23(16)10-14-8-15(22-21-14)17(25)20-9-13(3)24-6-4-18-11-24/h4-8,11-13H,9-10H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpropyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56747850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).