N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide

C17H21N3O2 — CID 136515525

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C17H21N3O2/c1-12(2)20-15(7-9-19-20)17(21)18-11-13-8-10-22-16-6-4-3-5-14(13)16/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,18,21)
InChIKeyCSFWMXKMLAAALY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.76
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 136515525) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID136515525
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C17H21N3O2/c1-12(2)20-15(7-9-19-20)17(21)18-11-13-8-10-22-16-6-4-3-5-14(13)16/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,18,21)
InChIKeyCSFWMXKMLAAALY-UHFFFAOYSA-N
XLogP2.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 126774217
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
1-acetyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-4-carboxamide
CID 110741365
5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 124606063
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide (CID 136515525) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NCC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is CSFWMXKMLAAALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)20-15(7-9-19-20)17(21)18-11-13-8-10-22-16-6-4-3-5-14(13)16/h3-7,9,12-13H,8,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 136515525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).