N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide

C21H21N3O — CID 18415871

IUPACN-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C21H21N3O/c1-21(2,3)22-20(25)14-10-8-13(9-11-14)18-17-12-15-6-4-5-7-16(15)19(17)24-23-18/h4-11H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLBERCSNDUQGYLI-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.18
Rot. Bonds2

About N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide

N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide (PubChem CID 18415871) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
PubChem CID18415871
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C21H21N3O/c1-21(2,3)22-20(25)14-10-8-13(9-11-14)18-17-12-15-6-4-5-7-16(15)19(17)24-23-18/h4-11H,12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLBERCSNDUQGYLI-UHFFFAOYSA-N
XLogP4.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide?
The IUPAC name of N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide (CID 18415871) is N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide?
The canonical SMILES for N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide is CC(C)(C)NC(=O)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide?
The InChIKey is LBERCSNDUQGYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-21(2,3)22-20(25)14-10-8-13(9-11-14)18-17-12-15-6-4-5-7-16(15)19(17)24-23-18/h4-11H,12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide?
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide is sourced from PubChem (CID 18415871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).