5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide

C19H16Cl3N3O2 — CID 11037300

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl3N3O2/c1-11-17(19(27)23-8-9-26)24-25(16-7-6-14(21)10-15(16)22)18(11)12-2-4-13(20)5-3-12/h2-7,10,26H,8-9H2,1H3,(H,23,27)
InChIKeyALGPHUCTXNRLQM-UHFFFAOYSA-N
MW424.72 g/mol
LogP4.53
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide (PubChem CID 11037300) has the molecular formula C19H16Cl3N3O2 and a molecular weight of 424.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide
PubChem CID11037300
Molecular FormulaC19H16Cl3N3O2
Molecular Weight424.72 g/mol
Exact Mass423.03
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl3N3O2/c1-11-17(19(27)23-8-9-26)24-25(16-7-6-14(21)10-15(16)22)18(11)12-2-4-13(20)5-3-12/h2-7,10,26H,8-9H2,1H3,(H,23,27)
InChIKeyALGPHUCTXNRLQM-UHFFFAOYSA-N
XLogP4.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.72
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide (CID 11037300) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)NCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is ALGPHUCTXNRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O2/c1-11-17(19(27)23-8-9-26)24-25(16-7-6-14(21)10-15(16)22)18(11)12-2-4-13(20)5-3-12/h2-7,10,26H,8-9H2,1H3,(H,23,27).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 424.72 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 11037300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).