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

C23H23Cl2N5O2 — CID 11619786

IUPAC2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C23H23Cl2N5O2/c24-17-9-4-10-18(22(17)25)27-23(32)28-21-13-19(15-6-1-2-7-15)29-30(21)16-8-3-5-14(11-16)12-20(26)31/h3-5,8-11,13,15H,1-2,6-7,12H2,(H2,26,31)(H2,27,28,32)
InChIKeyCDHWPDARBORLQH-UHFFFAOYSA-N
MW472.38 g/mol
LogP5.51
Rot. Bonds6

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

2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide (PubChem CID 11619786) has the molecular formula C23H23Cl2N5O2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide
PubChem CID11619786
Molecular FormulaC23H23Cl2N5O2
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C23H23Cl2N5O2/c24-17-9-4-10-18(22(17)25)27-23(32)28-21-13-19(15-6-1-2-7-15)29-30(21)16-8-3-5-14(11-16)12-20(26)31/h3-5,8-11,13,15H,1-2,6-7,12H2,(H2,26,31)(H2,27,28,32)
InChIKeyCDHWPDARBORLQH-UHFFFAOYSA-N
XLogP5.51
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.38
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide (CID 11619786) is 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide is NC(=O)Cc1cccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide?
The InChIKey is CDHWPDARBORLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O2/c24-17-9-4-10-18(22(17)25)27-23(32)28-21-13-19(15-6-1-2-7-15)29-30(21)16-8-3-5-14(11-16)12-20(26)31/h3-5,8-11,13,15H,1-2,6-7,12H2,(H2,26,31)(H2,27,28,32).
What are the key properties of 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide?
2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide has a molecular weight of 472.38 g/mol, XLogP of 5.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-cyclopentyl-5-[(2,3-dichlorophenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 11619786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).