1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

C21H19Cl3N4O3 — CID 24966851

IUPAC1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1ccccc1-2
InChIInChI=1S/C21H18Cl2N4O3.ClH/c22-13-5-6-17(16(23)11-13)27-20-14-3-1-2-4-18(14)30-12-15(20)19(24-27)21(28)25-26-7-9-29-10-8-26;/h1-6,11H,7-10,12H2,(H,25,28);1H
InChIKeyIBQOKNLKTYKOMC-UHFFFAOYSA-N
MW481.77 g/mol
LogP4.14
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 24966851) has the molecular formula C21H19Cl3N4O3 and a molecular weight of 481.77 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
PubChem CID24966851
Molecular FormulaC21H19Cl3N4O3
Molecular Weight481.77 g/mol
Exact Mass480.05
IUPAC Name1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1ccccc1-2
InChIInChI=1S/C21H18Cl2N4O3.ClH/c22-13-5-6-17(16(23)11-13)27-20-14-3-1-2-4-18(14)30-12-15(20)19(24-27)21(28)25-26-7-9-29-10-8-26;/h1-6,11H,7-10,12H2,(H,25,28);1H
InChIKeyIBQOKNLKTYKOMC-UHFFFAOYSA-N
XLogP4.14
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
CID 10994138
N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968637
6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24967574
1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965086
7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968629
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 69187221
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 71089145
(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 69408702
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide
CID 24967573
1-(2,4-dichlorophenyl)-5-(2-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10650406
1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 11612069
5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 67158956

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (CID 24966851) is 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1ccccc1-2.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is IBQOKNLKTYKOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3.ClH/c22-13-5-6-17(16(23)11-13)27-20-14-3-1-2-4-18(14)30-12-15(20)19(24-27)21(28)25-26-7-9-29-10-8-26;/h1-6,11H,7-10,12H2,(H,25,28);1H.
What are the key properties of 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 481.77 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24966851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).