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

C18H25N3O — CID 154329705

IUPAC2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
SMILESCC1CC(C)(C)c2cccc(NC(=O)C3(C)C=CN(C)N3)c21
InChIInChI=1S/C18H25N3O/c1-12-11-17(2,3)13-7-6-8-14(15(12)13)19-16(22)18(4)9-10-21(5)20-18/h6-10,12,20H,11H2,1-5H3,(H,19,22)
InChIKeyRFFVPMBIBPQADE-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.13
Rot. Bonds2

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

2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 154329705) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID154329705
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
SMILESCC1CC(C)(C)c2cccc(NC(=O)C3(C)C=CN(C)N3)c21
InChIInChI=1S/C18H25N3O/c1-12-11-17(2,3)13-7-6-8-14(15(12)13)19-16(22)18(4)9-10-21(5)20-18/h6-10,12,20H,11H2,1-5H3,(H,19,22)
InChIKeyRFFVPMBIBPQADE-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide (CID 154329705) is 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide is CC1CC(C)(C)c2cccc(NC(=O)C3(C)C=CN(C)N3)c21.
What is the InChIKey of 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is RFFVPMBIBPQADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12-11-17(2,3)13-7-6-8-14(15(12)13)19-16(22)18(4)9-10-21(5)20-18/h6-10,12,20H,11H2,1-5H3,(H,19,22).
What are the key properties of 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide?
2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154329705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).