(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H21N3O2 — CID 97279816

IUPAC(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H21N3O2/c1-2-19(10-11-20-9-5-8-18-20)17(21)15-12-14-6-3-4-7-16(14)22-13-15/h3-9,15H,2,10-13H2,1H3/t15-/m1/s1
InChIKeyZPHCOVPYMDHJSD-OAHLLOKOSA-N
MW299.37 g/mol
LogP1.98
Rot. Bonds5

About (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97279816) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97279816
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)[C@H]1COc2ccccc2C1
InChIInChI=1S/C17H21N3O2/c1-2-19(10-11-20-9-5-8-18-20)17(21)15-12-14-6-3-4-7-16(14)22-13-15/h3-9,15H,2,10-13H2,1H3/t15-/m1/s1
InChIKeyZPHCOVPYMDHJSD-OAHLLOKOSA-N
XLogP1.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97144519
N-ethyl-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56741638
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97110758
(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97120937
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
(3S)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275350
1-tert-butyl-N-ethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 70767990
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95327783
(3R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97143444
(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97280494
3,4-dihydro-2H-chromen-3-yl-(1-methylimidazol-2-yl)methanone
CID 65407973

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 97279816) is (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide is CCN(CCn1cccn1)C(=O)[C@H]1COc2ccccc2C1.
What is the InChIKey of (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZPHCOVPYMDHJSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-19(10-11-20-9-5-8-18-20)17(21)15-12-14-6-3-4-7-16(14)22-13-15/h3-9,15H,2,10-13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97279816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).