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

C20H21Cl2N5O — CID 24768471

IUPAC1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1
InChIInChI=1S/C20H21Cl2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)15-7-8-16(21)17(22)13-15/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)
InChIKeyOPYOJVJATARELS-UHFFFAOYSA-N
MW418.33 g/mol
LogP4.41
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide (PubChem CID 24768471) has the molecular formula C20H21Cl2N5O and a molecular weight of 418.33 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
PubChem CID24768471
Molecular FormulaC20H21Cl2N5O
Molecular Weight418.33 g/mol
Exact Mass417.11
IUPAC Name1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1
InChIInChI=1S/C20H21Cl2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)15-7-8-16(21)17(22)13-15/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)
InChIKeyOPYOJVJATARELS-UHFFFAOYSA-N
XLogP4.41
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 54.41
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)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide (CID 24768471) is 1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
The InChIKey is OPYOJVJATARELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)15-7-8-16(21)17(22)13-15/h5-10,13H,2-4,11-12H2,1H3,(H,24,28).
What are the key properties of 1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide?
1-(3,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide has a molecular weight of 418.33 g/mol, XLogP of 4.41, 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)-4-methyl-N-piperidin-1-yl-5-pyrrol-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 24768471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).