1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride

C24H28Cl2N4O4 — CID 146059779

IUPAC1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C24H27ClN4O4.ClH/c1-31-20-12-17(13-21(32-2)23(20)33-3)28-24(30)19-14-27-29(18-6-4-16(25)5-7-18)22(19)15-8-10-26-11-9-15;/h4-7,12-15,26H,8-11H2,1-3H3,(H,28,30);1H
InChIKeyRINCWSFETWLCQR-UHFFFAOYSA-N
MW507.42 g/mol
LogP4.69
Rot. Bonds7

About 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride

1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 146059779) has the molecular formula C24H28Cl2N4O4 and a molecular weight of 507.42 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID146059779
Molecular FormulaC24H28Cl2N4O4
Molecular Weight507.42 g/mol
Exact Mass506.15
IUPAC Name1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C24H27ClN4O4.ClH/c1-31-20-12-17(13-21(32-2)23(20)33-3)28-24(30)19-14-27-29(18-6-4-16(25)5-7-18)22(19)15-8-10-26-11-9-15;/h4-7,12-15,26H,8-11H2,1-3H3,(H,28,30);1H
InChIKeyRINCWSFETWLCQR-UHFFFAOYSA-N
XLogP4.69
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.42
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride (CID 146059779) is 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride is COc1cc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)cc(OC)c1OC.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is RINCWSFETWLCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4.ClH/c1-31-20-12-17(13-21(32-2)23(20)33-3)28-24(30)19-14-27-29(18-6-4-16(25)5-7-18)22(19)15-8-10-26-11-9-15;/h4-7,12-15,26H,8-11H2,1-3H3,(H,28,30);1H.
What are the key properties of 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride?
1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 507.42 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-piperidin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146059779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).