N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide

C20H19N3O2 — CID 47035719

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
SMILESCc1ccn(-c2ccc(C(=O)NC3CCOc4ccccc43)cc2)n1
InChIInChI=1S/C20H19N3O2/c1-14-10-12-23(22-14)16-8-6-15(7-9-16)20(24)21-18-11-13-25-19-5-3-2-4-17(18)19/h2-10,12,18H,11,13H2,1H3,(H,21,24)
InChIKeyWGMCVPWRDLYRJQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.43
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide (PubChem CID 47035719) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
PubChem CID47035719
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
SMILESCc1ccn(-c2ccc(C(=O)NC3CCOc4ccccc43)cc2)n1
InChIInChI=1S/C20H19N3O2/c1-14-10-12-23(22-14)16-8-6-15(7-9-16)20(24)21-18-11-13-25-19-5-3-2-4-17(18)19/h2-10,12,18H,11,13H2,1H3,(H,21,24)
InChIKeyWGMCVPWRDLYRJQ-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
CID 39952228
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94018271

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide (CID 47035719) is N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide is Cc1ccn(-c2ccc(C(=O)NC3CCOc4ccccc43)cc2)n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide?
The InChIKey is WGMCVPWRDLYRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-10-12-23(22-14)16-8-6-15(7-9-16)20(24)21-18-11-13-25-19-5-3-2-4-17(18)19/h2-10,12,18H,11,13H2,1H3,(H,21,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.43, 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)-4-(3-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 47035719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).