N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide

C22H19N3O3 — CID 70777675

IUPACN,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(C)Cc3ccc(-n4cccn4)cc3)oc2c1
InChIInChI=1S/C22H19N3O3/c1-15-4-9-18-19(26)13-21(28-20(18)12-15)22(27)24(2)14-16-5-7-17(8-6-16)25-11-3-10-23-25/h3-13H,14H2,1-2H3
InChIKeyGWAUOCPAXIORAG-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.56
Rot. Bonds4

About N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide

N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide (PubChem CID 70777675) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide.

Molecular Properties

Compound NameN,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
PubChem CID70777675
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(C)Cc3ccc(-n4cccn4)cc3)oc2c1
InChIInChI=1S/C22H19N3O3/c1-15-4-9-18-19(26)13-21(28-20(18)12-15)22(27)24(2)14-16-5-7-17(8-6-16)25-11-3-10-23-25/h3-13H,14H2,1-2H3
InChIKeyGWAUOCPAXIORAG-UHFFFAOYSA-N
XLogP3.56
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-7-pyrazol-1-ylchromene-2-carboxylic acid
CID 126484769
N-benzyl-N-methyl-4-oxochromene-2-carboxamide
CID 4056065
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 154894262
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 19277952
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 122177912
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
3-(3,4-dichlorophenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 19515586

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide?
The IUPAC name of N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide (CID 70777675) is N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide.
What is the SMILES notation for N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide?
The canonical SMILES for N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide is Cc1ccc2c(=O)cc(C(=O)N(C)Cc3ccc(-n4cccn4)cc3)oc2c1.
What is the InChIKey of N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide?
The InChIKey is GWAUOCPAXIORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-15-4-9-18-19(26)13-21(28-20(18)12-15)22(27)24(2)14-16-5-7-17(8-6-16)25-11-3-10-23-25/h3-13H,14H2,1-2H3.
What are the key properties of N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide?
N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide is sourced from PubChem (CID 70777675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).