3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide

C24H25N5O2 — CID 66858065

IUPAC3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2cc(-c3ccc(OCCn4ccnc4)cc3)[nH]n2)c1
InChIInChI=1S/C24H25N5O2/c1-17(2)26-24(30)20-5-3-4-19(14-20)23-15-22(27-28-23)18-6-8-21(9-7-18)31-13-12-29-11-10-25-16-29/h3-11,14-17H,12-13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyUQCKPCSXUUKPNI-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.16
Rot. Bonds8

About 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide

3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 66858065) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID66858065
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2cc(-c3ccc(OCCn4ccnc4)cc3)[nH]n2)c1
InChIInChI=1S/C24H25N5O2/c1-17(2)26-24(30)20-5-3-4-19(14-20)23-15-22(27-28-23)18-6-8-21(9-7-18)31-13-12-29-11-10-25-16-29/h3-11,14-17H,12-13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyUQCKPCSXUUKPNI-UHFFFAOYSA-N
XLogP4.16
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide (CID 66858065) is 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(OCCn4ccnc4)cc3)[nH]n2)c1.
What is the InChIKey of 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is UQCKPCSXUUKPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17(2)26-24(30)20-5-3-4-19(14-20)23-15-22(27-28-23)18-6-8-21(9-7-18)31-13-12-29-11-10-25-16-29/h3-11,14-17H,12-13H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 415.50 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(2-imidazol-1-ylethoxy)phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 66858065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).