N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide

C15H17N3O2 — CID 47156481

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCOc2ccccc21)n1cccn1
InChIInChI=1S/C15H17N3O2/c1-11(18-9-4-8-16-18)15(19)17-13-7-10-20-14-6-3-2-5-12(13)14/h2-6,8-9,11,13H,7,10H2,1H3,(H,17,19)
InChIKeyZOQSNIGHCOHWFO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide (PubChem CID 47156481) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
PubChem CID47156481
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCOc2ccccc21)n1cccn1
InChIInChI=1S/C15H17N3O2/c1-11(18-9-4-8-16-18)15(19)17-13-7-10-20-14-6-3-2-5-12(13)14/h2-6,8-9,11,13H,7,10H2,1H3,(H,17,19)
InChIKeyZOQSNIGHCOHWFO-UHFFFAOYSA-N
XLogP2.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32718919
1-[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904104
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide
CID 86918724
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95344485
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 18115199
2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 62365398

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide (CID 47156481) is N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide is CC(C(=O)NC1CCOc2ccccc21)n1cccn1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide?
The InChIKey is ZOQSNIGHCOHWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(18-9-4-8-16-18)15(19)17-13-7-10-20-14-6-3-2-5-12(13)14/h2-6,8-9,11,13H,7,10H2,1H3,(H,17,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 2.08, 3 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-yl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47156481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).