4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide

C14H16N4O — CID 63104276

IUPAC4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1[nH]ncc1N)C1CCc2ccccc21
InChIInChI=1S/C14H16N4O/c1-18(14(19)13-11(15)8-16-17-13)12-7-6-9-4-2-3-5-10(9)12/h2-5,8,12H,6-7,15H2,1H3,(H,16,17)
InChIKeyCQMRMAXLXLUBMB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds2

About 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63104276) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63104276
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1[nH]ncc1N)C1CCc2ccccc21
InChIInChI=1S/C14H16N4O/c1-18(14(19)13-11(15)8-16-17-13)12-7-6-9-4-2-3-5-10(9)12/h2-5,8,12H,6-7,15H2,1H3,(H,16,17)
InChIKeyCQMRMAXLXLUBMB-UHFFFAOYSA-N
XLogP1.75
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide
CID 43575502
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
CID 42941214
N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyridine-2-carboxamide
CID 42944559
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-oxazole-4-carboxamide
CID 138997641
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide
CID 107358584
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104142
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-1-oxo-2H-isoquinoline-4-carboxamide
CID 99790409
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 35205344
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbutanamide
CID 79011570
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-carboxamide
CID 43049148

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide (CID 63104276) is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide is CN(C(=O)c1[nH]ncc1N)C1CCc2ccccc21.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is CQMRMAXLXLUBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18(14(19)13-11(15)8-16-17-13)12-7-6-9-4-2-3-5-10(9)12/h2-5,8,12H,6-7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide?
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63104276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).