5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile

C15H14N4O2 — CID 71875478

IUPAC5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)CC2CCOc3ccccc32)c1N
InChIInChI=1S/C15H14N4O2/c16-8-11-9-18-19(15(11)17)14(20)7-10-5-6-21-13-4-2-1-3-12(10)13/h1-4,9-10H,5-7,17H2
InChIKeyPWCPBEPUUFYGAF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.93
Rot. Bonds2

About 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile

5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile (PubChem CID 71875478) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile
PubChem CID71875478
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)CC2CCOc3ccccc32)c1N
InChIInChI=1S/C15H14N4O2/c16-8-11-9-18-19(15(11)17)14(20)7-10-5-6-21-13-4-2-1-3-12(10)13/h1-4,9-10H,5-7,17H2
InChIKeyPWCPBEPUUFYGAF-UHFFFAOYSA-N
XLogP1.93
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110680477
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone;hydrochloride
CID 120746728
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile (CID 71875478) is 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)CC2CCOc3ccccc32)c1N.
What is the InChIKey of 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile?
The InChIKey is PWCPBEPUUFYGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-8-11-9-18-19(15(11)17)14(20)7-10-5-6-21-13-4-2-1-3-12(10)13/h1-4,9-10H,5-7,17H2.
What are the key properties of 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile?
5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 71875478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).