2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide

C24H19Cl2N5O2 — CID 11691493

IUPAC2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C24H19Cl2N5O2/c25-18-10-5-11-19(23(18)26)28-24(33)29-22-14-20(16-7-2-1-3-8-16)30-31(22)17-9-4-6-15(12-17)13-21(27)32/h1-12,14H,13H2,(H2,27,32)(H2,28,29,33)
InChIKeyVDMNSWVUAZIWIY-UHFFFAOYSA-N
MW480.36 g/mol
LogP5.52
Rot. Bonds6

About 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide

2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide (PubChem CID 11691493) has the molecular formula C24H19Cl2N5O2 and a molecular weight of 480.36 g/mol. Its IUPAC name is 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide
PubChem CID11691493
Molecular FormulaC24H19Cl2N5O2
Molecular Weight480.36 g/mol
Exact Mass479.09
IUPAC Name2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C24H19Cl2N5O2/c25-18-10-5-11-19(23(18)26)28-24(33)29-22-14-20(16-7-2-1-3-8-16)30-31(22)17-9-4-6-15(12-17)13-21(27)32/h1-12,14H,13H2,(H2,27,32)(H2,28,29,33)
InChIKeyVDMNSWVUAZIWIY-UHFFFAOYSA-N
XLogP5.52
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.36
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide (CID 11691493) is 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide is NC(=O)Cc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide?
The InChIKey is VDMNSWVUAZIWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O2/c25-18-10-5-11-19(23(18)26)28-24(33)29-22-14-20(16-7-2-1-3-8-16)30-31(22)17-9-4-6-15(12-17)13-21(27)32/h1-12,14H,13H2,(H2,27,32)(H2,28,29,33).
What are the key properties of 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide?
2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide has a molecular weight of 480.36 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-phenylpyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 11691493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).