N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide

C17H21N3O — CID 115589899

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc3c(c2)CCC3)n[nH]1
InChIInChI=1S/C17H21N3O/c1-17(2,3)14-10-15(20-19-14)18-16(21)13-8-7-11-5-4-6-12(11)9-13/h7-10H,4-6H2,1-3H3,(H2,18,19,20,21)
InChIKeyFDKVJWFBUPJSQZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.45
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 115589899) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID115589899
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc3c(c2)CCC3)n[nH]1
InChIInChI=1S/C17H21N3O/c1-17(2,3)14-10-15(20-19-14)18-16(21)13-8-7-11-5-4-6-12(11)9-13/h7-10H,4-6H2,1-3H3,(H2,18,19,20,21)
InChIKeyFDKVJWFBUPJSQZ-UHFFFAOYSA-N
XLogP3.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 115589899) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)CCC3)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is FDKVJWFBUPJSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)14-10-15(20-19-14)18-16(21)13-8-7-11-5-4-6-12(11)9-13/h7-10H,4-6H2,1-3H3,(H2,18,19,20,21).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 115589899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).