5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide

C19H17Cl3N4OS — CID 11510814

IUPAC5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1
InChIInChI=1S/C19H17Cl3N4OS/c1-11-17(19(27)24-25-8-2-3-9-25)23-26(14-5-4-12(20)10-13(14)21)18(11)15-6-7-16(22)28-15/h4-7,10H,2-3,8-9H2,1H3,(H,24,27)
InChIKeyPCPLUKDORVRLOM-UHFFFAOYSA-N
MW455.80 g/mol
LogP5.61
Rot. Bonds4

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

5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide (PubChem CID 11510814) has the molecular formula C19H17Cl3N4OS and a molecular weight of 455.80 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide
PubChem CID11510814
Molecular FormulaC19H17Cl3N4OS
Molecular Weight455.80 g/mol
Exact Mass454.02
IUPAC Name5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1
InChIInChI=1S/C19H17Cl3N4OS/c1-11-17(19(27)24-25-8-2-3-9-25)23-26(14-5-4-12(20)10-13(14)21)18(11)15-6-7-16(22)28-15/h4-7,10H,2-3,8-9H2,1H3,(H,24,27)
InChIKeyPCPLUKDORVRLOM-UHFFFAOYSA-N
XLogP5.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.80
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide (CID 11510814) is 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide?
The InChIKey is PCPLUKDORVRLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N4OS/c1-11-17(19(27)24-25-8-2-3-9-25)23-26(14-5-4-12(20)10-13(14)21)18(11)15-6-7-16(22)28-15/h4-7,10H,2-3,8-9H2,1H3,(H,24,27).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide has a molecular weight of 455.80 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-pyrrolidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11510814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).