1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C22H25Cl2N5O — CID 24768474

IUPAC1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C
InChIInChI=1S/C22H25Cl2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)17-9-10-18(23)19(24)13-17/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)
InChIKeyDYPCUHGWIDYYDK-UHFFFAOYSA-N
MW446.38 g/mol
LogP5.03
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 24768474) has the molecular formula C22H25Cl2N5O and a molecular weight of 446.38 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID24768474
Molecular FormulaC22H25Cl2N5O
Molecular Weight446.38 g/mol
Exact Mass445.14
IUPAC Name1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C
InChIInChI=1S/C22H25Cl2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)17-9-10-18(23)19(24)13-17/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)
InChIKeyDYPCUHGWIDYYDK-UHFFFAOYSA-N
XLogP5.03
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 24768474) is 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is DYPCUHGWIDYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)17-9-10-18(23)19(24)13-17/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30).
What are the key properties of 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 446.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 24768474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).