(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C18H23N3O3 — CID 97144519

IUPAC(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)[C@@H]1COc2c(cccc2OC)C1
InChIInChI=1S/C18H23N3O3/c1-3-20(10-11-21-9-5-8-19-21)18(22)15-12-14-6-4-7-16(23-2)17(14)24-13-15/h4-9,15H,3,10-13H2,1-2H3/t15-/m0/s1
InChIKeyAWGTVHQOGAOVMY-HNNXBMFYSA-N
MW329.40 g/mol
LogP1.99
Rot. Bonds6

About (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97144519) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97144519
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)[C@@H]1COc2c(cccc2OC)C1
InChIInChI=1S/C18H23N3O3/c1-3-20(10-11-21-9-5-8-19-21)18(22)15-12-14-6-4-7-16(23-2)17(14)24-13-15/h4-9,15H,3,10-13H2,1-2H3/t15-/m0/s1
InChIKeyAWGTVHQOGAOVMY-HNNXBMFYSA-N
XLogP1.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279816
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97120937
N-(2-hydroxyethyl)-8-methoxy-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 50955315
N-ethyl-N-(2-pyrazol-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 56741638
(3S)-8-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97152035
1-tert-butyl-N-ethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 70767990
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95202129
8-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72927823
(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97110056
[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95283159
(3R)-8-methoxy-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97203250

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 97144519) is (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide is CCN(CCn1cccn1)C(=O)[C@@H]1COc2c(cccc2OC)C1.
What is the InChIKey of (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is AWGTVHQOGAOVMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-20(10-11-21-9-5-8-19-21)18(22)15-12-14-6-4-7-16(23-2)17(14)24-13-15/h4-9,15H,3,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-8-methoxy-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97144519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).