N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride

C24H24Cl3FN4O2 — CID 69164180

IUPACN-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
SMILESCC1(C)Oc2cc(F)ccc2-c2n[nH]c(C(=O)N(c3ccc(Cl)cc3Cl)N3CCCCC3)c21.Cl
InChIInChI=1S/C24H23Cl2FN4O2.ClH/c1-24(2)20-21(16-8-7-15(27)13-19(16)33-24)28-29-22(20)23(32)31(30-10-4-3-5-11-30)18-9-6-14(25)12-17(18)26;/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,28,29);1H
InChIKeyNEIVELIHCZDVLO-UHFFFAOYSA-N
MW525.84 g/mol
LogP6.62
Rot. Bonds3

About N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride

N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride (PubChem CID 69164180) has the molecular formula C24H24Cl3FN4O2 and a molecular weight of 525.84 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
PubChem CID69164180
Molecular FormulaC24H24Cl3FN4O2
Molecular Weight525.84 g/mol
Exact Mass524.09
IUPAC NameN-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
SMILESCC1(C)Oc2cc(F)ccc2-c2n[nH]c(C(=O)N(c3ccc(Cl)cc3Cl)N3CCCCC3)c21.Cl
InChIInChI=1S/C24H23Cl2FN4O2.ClH/c1-24(2)20-21(16-8-7-15(27)13-19(16)33-24)28-29-22(20)23(32)31(30-10-4-3-5-11-30)18-9-6-14(25)12-17(18)26;/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,28,29);1H
InChIKeyNEIVELIHCZDVLO-UHFFFAOYSA-N
XLogP6.62
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.84
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69164163
N-(2-chloro-4-fluorophenyl)-7-iodo-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69194500
7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164000
N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69165691
12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide
CID 69163024
3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide
CID 123444229
6-(azepan-1-yl)-N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69163357
N-(azepan-1-yl)-7-cyano-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965082
[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19515045
1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxylic acid
CID 69164879
8-chloro-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxylic acid
CID 90921164
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride (CID 69164180) is N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride is CC1(C)Oc2cc(F)ccc2-c2n[nH]c(C(=O)N(c3ccc(Cl)cc3Cl)N3CCCCC3)c21.Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is NEIVELIHCZDVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FN4O2.ClH/c1-24(2)20-21(16-8-7-15(27)13-19(16)33-24)28-29-22(20)23(32)31(30-10-4-3-5-11-30)18-9-6-14(25)12-17(18)26;/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,28,29);1H.
What are the key properties of N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 525.84 g/mol, XLogP of 6.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 69164180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).