N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C23H27ClN4O — CID 146053304

IUPACN-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CCNCC2)c1C.Cl
InChIInChI=1S/C23H26N4O.ClH/c1-16-7-6-10-21(17(16)2)26-23(28)20-15-25-27(19-8-4-3-5-9-19)22(20)18-11-13-24-14-12-18;/h3-10,15,18,24H,11-14H2,1-2H3,(H,26,28);1H
InChIKeyDLNIYGBARCQWSU-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.63
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053304) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053304
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC NameN-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CCNCC2)c1C.Cl
InChIInChI=1S/C23H26N4O.ClH/c1-16-7-6-10-21(17(16)2)26-23(28)20-15-25-27(19-8-4-3-5-9-19)22(20)18-11-13-24-14-12-18;/h3-10,15,18,24H,11-14H2,1-2H3,(H,26,28);1H
InChIKeyDLNIYGBARCQWSU-UHFFFAOYSA-N
XLogP4.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053304) is N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C2CCNCC2)c1C.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is DLNIYGBARCQWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.ClH/c1-16-7-6-10-21(17(16)2)26-23(28)20-15-25-27(19-8-4-3-5-9-19)22(20)18-11-13-24-14-12-18;/h3-10,15,18,24H,11-14H2,1-2H3,(H,26,28);1H.
What are the key properties of N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).