4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide

C25H27N5O — CID 143218430

IUPAC4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide
SMILESCCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(C(=O)NC)cc3)ccc12
InChIInChI=1S/C25H27N5O/c1-3-22-21-13-10-18(16-24(21)30(28-22)19-6-4-5-7-19)23-14-15-27-29(23)20-11-8-17(9-12-20)25(31)26-2/h8-16,19H,3-7H2,1-2H3,(H,26,31)
InChIKeyUBCWDDNEIHYLOE-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.93
Rot. Bonds5

About 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide

4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide (PubChem CID 143218430) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide
PubChem CID143218430
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide
SMILESCCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(C(=O)NC)cc3)ccc12
InChIInChI=1S/C25H27N5O/c1-3-22-21-13-10-18(16-24(21)30(28-22)19-6-4-5-7-19)23-14-15-27-29(23)20-11-8-17(9-12-20)25(31)26-2/h8-16,19H,3-7H2,1-2H3,(H,26,31)
InChIKeyUBCWDDNEIHYLOE-UHFFFAOYSA-N
XLogP4.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide (CID 143218430) is 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide is CCc1nn(C2CCCC2)c2cc(-c3ccnn3-c3ccc(C(=O)NC)cc3)ccc12.
What is the InChIKey of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide?
The InChIKey is UBCWDDNEIHYLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-3-22-21-13-10-18(16-24(21)30(28-22)19-6-4-5-7-19)23-14-15-27-29(23)20-11-8-17(9-12-20)25(31)26-2/h8-16,19H,3-7H2,1-2H3,(H,26,31).
What are the key properties of 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide?
4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide has a molecular weight of 413.53 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-cyclopentyl-3-ethylindazol-6-yl)pyrazol-1-yl]-N-methylbenzamide is sourced from PubChem (CID 143218430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).