5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide

C20H18Cl3N3O2 — CID 10917163

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N[C@@H](C)CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl3N3O2/c1-11(10-27)24-20(28)18-12(2)19(13-3-5-14(21)6-4-13)26(25-18)17-8-7-15(22)9-16(17)23/h3-9,11,27H,10H2,1-2H3,(H,24,28)/t11-/m0/s1
InChIKeyGERDYTNXUBOSJO-NSHDSACASA-N
MW438.74 g/mol
LogP4.92
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide (PubChem CID 10917163) has the molecular formula C20H18Cl3N3O2 and a molecular weight of 438.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide
PubChem CID10917163
Molecular FormulaC20H18Cl3N3O2
Molecular Weight438.74 g/mol
Exact Mass437.05
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)N[C@@H](C)CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl3N3O2/c1-11(10-27)24-20(28)18-12(2)19(13-3-5-14(21)6-4-13)26(25-18)17-8-7-15(22)9-16(17)23/h3-9,11,27H,10H2,1-2H3,(H,24,28)/t11-/m0/s1
InChIKeyGERDYTNXUBOSJO-NSHDSACASA-N
XLogP4.92
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.74
LogP ≤ 54.92
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-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide (CID 10917163) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)N[C@@H](C)CO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide?
The InChIKey is GERDYTNXUBOSJO-NSHDSACASA-N. The full InChI is InChI=1S/C20H18Cl3N3O2/c1-11(10-27)24-20(28)18-12(2)19(13-3-5-14(21)6-4-13)26(25-18)17-8-7-15(22)9-16(17)23/h3-9,11,27H,10H2,1-2H3,(H,24,28)/t11-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide has a molecular weight of 438.74 g/mol, XLogP of 4.92, 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-[(2S)-1-hydroxypropan-2-yl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 10917163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).