2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide

C19H27N3O — CID 67894191

IUPAC2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
SMILESCC1=CC(C)(C(=O)Nc2cccc3c2C(C)CC3(C)C)NN1C
InChIInChI=1S/C19H27N3O/c1-12-10-18(3,4)14-8-7-9-15(16(12)14)20-17(23)19(5)11-13(2)22(6)21-19/h7-9,11-12,21H,10H2,1-6H3,(H,20,23)
InChIKeyFXXDOVYBZAVYNZ-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.52
Rot. Bonds2

About 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide

2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 67894191) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID67894191
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
SMILESCC1=CC(C)(C(=O)Nc2cccc3c2C(C)CC3(C)C)NN1C
InChIInChI=1S/C19H27N3O/c1-12-10-18(3,4)14-8-7-9-15(16(12)14)20-17(23)19(5)11-13(2)22(6)21-19/h7-9,11-12,21H,10H2,1-6H3,(H,20,23)
InChIKeyFXXDOVYBZAVYNZ-UHFFFAOYSA-N
XLogP3.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide (CID 67894191) is 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide is CC1=CC(C)(C(=O)Nc2cccc3c2C(C)CC3(C)C)NN1C.
What is the InChIKey of 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is FXXDOVYBZAVYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-12-10-18(3,4)14-8-7-9-15(16(12)14)20-17(23)19(5)11-13(2)22(6)21-19/h7-9,11-12,21H,10H2,1-6H3,(H,20,23).
What are the key properties of 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide?
2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 67894191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).