2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole

C17H27N5 — CID 95218470

IUPAC2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
SMILESCN1CCC[C@@H]1CCn1ccnc1-c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C17H27N5/c1-17(2,3)15-12-14(19-20-15)16-18-8-11-22(16)10-7-13-6-5-9-21(13)4/h8,11-13H,5-7,9-10H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyCIODEZVTCNJDCU-CYBMUJFWSA-N
MW301.44 g/mol
LogP3.06
Rot. Bonds4

About 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole

2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole (PubChem CID 95218470) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
PubChem CID95218470
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
SMILESCN1CCC[C@@H]1CCn1ccnc1-c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C17H27N5/c1-17(2,3)15-12-14(19-20-15)16-18-8-11-22(16)10-7-13-6-5-9-21(13)4/h8,11-13H,5-7,9-10H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyCIODEZVTCNJDCU-CYBMUJFWSA-N
XLogP3.06
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole?
The IUPAC name of 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole (CID 95218470) is 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole.
What is the SMILES notation for 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole?
The canonical SMILES for 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole is CN1CCC[C@@H]1CCn1ccnc1-c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole?
The InChIKey is CIODEZVTCNJDCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N5/c1-17(2,3)15-12-14(19-20-15)16-18-8-11-22(16)10-7-13-6-5-9-21(13)4/h8,11-13H,5-7,9-10H2,1-4H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole?
2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole has a molecular weight of 301.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole is sourced from PubChem (CID 95218470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).