N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine

C18H32N6O — CID 174724104

IUPACN-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine
SMILESCN.CN.CN.Cc1nn(C)cc1C(=O)Nc1cccc2c1CCC2
InChIInChI=1S/C15H17N3O.3CH5N/c1-10-13(9-18(2)17-10)15(19)16-14-8-4-6-11-5-3-7-12(11)14;3*1-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,19);3*2H2,1H3
InChIKeyIHXKKIQETMSXEF-UHFFFAOYSA-N
MW348.50 g/mol
LogP1.19
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine

N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine (PubChem CID 174724104) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine
PubChem CID174724104
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC NameN-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine
SMILESCN.CN.CN.Cc1nn(C)cc1C(=O)Nc1cccc2c1CCC2
InChIInChI=1S/C15H17N3O.3CH5N/c1-10-13(9-18(2)17-10)15(19)16-14-8-4-6-11-5-3-7-12(11)14;3*1-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,19);3*2H2,1H3
InChIKeyIHXKKIQETMSXEF-UHFFFAOYSA-N
XLogP1.19
TPSA124.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine (CID 174724104) is N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine is CN.CN.CN.Cc1nn(C)cc1C(=O)Nc1cccc2c1CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine?
The InChIKey is IHXKKIQETMSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.3CH5N/c1-10-13(9-18(2)17-10)15(19)16-14-8-4-6-11-5-3-7-12(11)14;3*1-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,19);3*2H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine?
N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine has a molecular weight of 348.50 g/mol, XLogP of 1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine is sourced from PubChem (CID 174724104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).