(3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H20N4O3 — CID 95171735

IUPAC(3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)[C@H]2COc3ccccc3C2)cn1
InChIInChI=1S/C17H20N4O3/c1-20(2)16(22)10-21-9-14(8-18-21)19-17(23)13-7-12-5-3-4-6-15(12)24-11-13/h3-6,8-9,13H,7,10-11H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyZVHGDOCFWKLQCT-CYBMUJFWSA-N
MW328.37 g/mol
LogP1.16
Rot. Bonds4

About (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95171735) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95171735
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)[C@H]2COc3ccccc3C2)cn1
InChIInChI=1S/C17H20N4O3/c1-20(2)16(22)10-21-9-14(8-18-21)19-17(23)13-7-12-5-3-4-6-15(12)24-11-13/h3-6,8-9,13H,7,10-11H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyZVHGDOCFWKLQCT-CYBMUJFWSA-N
XLogP1.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-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

N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146122980
6-methoxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 171654739
N-[2-(4-methylpyrazol-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72909703
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72873004
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 95171735) is (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is CN(C)C(=O)Cn1cc(NC(=O)[C@H]2COc3ccccc3C2)cn1.
What is the InChIKey of (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZVHGDOCFWKLQCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20(2)16(22)10-21-9-14(8-18-21)19-17(23)13-7-12-5-3-4-6-15(12)24-11-13/h3-6,8-9,13H,7,10-11H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95171735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).