N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

C23H22Cl4N4O2 — CID 24968637

IUPACN-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1cc(Cl)ccc1-2
InChIInChI=1S/C23H21Cl3N4O2.ClH/c24-14-6-8-19(18(26)11-14)30-22-16-7-5-15(25)12-20(16)32-13-17(22)21(27-30)23(31)28-29-9-3-1-2-4-10-29;/h5-8,11-12H,1-4,9-10,13H2,(H,28,31);1H
InChIKeyTUCYWFZJFDRLNK-UHFFFAOYSA-N
MW528.27 g/mol
LogP6.33
Rot. Bonds3

About N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 24968637) has the molecular formula C23H22Cl4N4O2 and a molecular weight of 528.27 g/mol. Its IUPAC name is N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
PubChem CID24968637
Molecular FormulaC23H22Cl4N4O2
Molecular Weight528.27 g/mol
Exact Mass526.05
IUPAC NameN-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1cc(Cl)ccc1-2
InChIInChI=1S/C23H21Cl3N4O2.ClH/c24-14-6-8-19(18(26)11-14)30-22-16-7-5-15(25)12-20(16)32-13-17(22)21(27-30)23(31)28-29-9-3-1-2-4-10-29;/h5-8,11-12H,1-4,9-10,13H2,(H,28,31);1H
InChIKeyTUCYWFZJFDRLNK-UHFFFAOYSA-N
XLogP6.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.27
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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)-N-piperidin-1-yl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
CID 10994138
1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24966851
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
(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 69408702
N-(azepan-1-yl)-7-cyano-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965082
1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 11612069
N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide
CID 24965441
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (CID 24968637) is N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1cc(Cl)ccc1-2.
What is the InChIKey of N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is TUCYWFZJFDRLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N4O2.ClH/c24-14-6-8-19(18(26)11-14)30-22-16-7-5-15(25)12-20(16)32-13-17(22)21(27-30)23(31)28-29-9-3-1-2-4-10-29;/h5-8,11-12H,1-4,9-10,13H2,(H,28,31);1H.
What are the key properties of N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 528.27 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24968637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).