6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H19N3O3 — CID 42629959

IUPAC6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C20H19N3O3/c1-25-18-6-7-19-14(9-18)8-15(12-26-19)20(24)23-17-4-2-13(3-5-17)16-10-21-22-11-16/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyFESVVZJQPFPEKJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.28
Rot. Bonds4

About 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 42629959) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID42629959
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C20H19N3O3/c1-25-18-6-7-19-14(9-18)8-15(12-26-19)20(24)23-17-4-2-13(3-5-17)16-10-21-22-11-16/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyFESVVZJQPFPEKJ-UHFFFAOYSA-N
XLogP3.28
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 25093234
N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-6-methoxychroman-3-carboxamide
CID 25262260
(3S)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
CID 66577033
2-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136030684
(3S)-N-[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
CID 90668081
N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 25154767
N-(4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 25154768
N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44124430
N-(2-fluoro-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44124543
N-(3-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44124544
N-(4-(1H-pyrazol-4-yl)phenyl)-6-(4-methylpiperazine-1-carbonyl)chroman-3-carboxamide
CID 44124778
N-(4-(1H-pyrazol-4-yl)phenyl)-8-methoxychroman-3-carboxamide
CID 44124779

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 42629959) is 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2.
What is the InChIKey of 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FESVVZJQPFPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-18-6-7-19-14(9-18)8-15(12-26-19)20(24)23-17-4-2-13(3-5-17)16-10-21-22-11-16/h2-7,9-11,15H,8,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 42629959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).