4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

C23H21Cl2N5O2 — CID 11963742

IUPAC4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILES[11CH3]Oc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)/i1-1
InChIKeyMCNQUWLLXZZZAC-BJUDXGSMSA-N
MW469.36 g/mol
LogP4.86
Rot. Bonds5

About 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 11963742) has the molecular formula C23H21Cl2N5O2 and a molecular weight of 469.36 g/mol. Its IUPAC name is 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID11963742
Molecular FormulaC23H21Cl2N5O2
Molecular Weight469.36 g/mol
Exact Mass468.12
IUPAC Name4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILES[11CH3]Oc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)/i1-1
InChIKeyMCNQUWLLXZZZAC-BJUDXGSMSA-N
XLogP4.86
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (CID 11963742) is 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is [11CH3]Oc1ccc(-c2c(C#N)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is MCNQUWLLXZZZAC-BJUDXGSMSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)/i1-1.
What are the key properties of 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 469.36 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11963742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).