N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide

C22H27F2N5O3 — CID 37450617

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C22H27F2N5O3/c23-22(24)32-18-8-4-3-7-17(18)21(31)28-13-11-27(12-14-28)15-20(30)26-19-9-10-25-29(19)16-5-1-2-6-16/h3-4,7-10,16,22H,1-2,5-6,11-15H2,(H,26,30)
InChIKeySBIUDMKSCPYDMN-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.00
Rot. Bonds7

About N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide (PubChem CID 37450617) has the molecular formula C22H27F2N5O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
PubChem CID37450617
Molecular FormulaC22H27F2N5O3
Molecular Weight447.49 g/mol
Exact Mass447.21
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C22H27F2N5O3/c23-22(24)32-18-8-4-3-7-17(18)21(31)28-13-11-27(12-14-28)15-20(30)26-19-9-10-25-29(19)16-5-1-2-6-16/h3-4,7-10,16,22H,1-2,5-6,11-15H2,(H,26,30)
InChIKeySBIUDMKSCPYDMN-UHFFFAOYSA-N
XLogP3.00
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide (CID 37450617) is N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2OC(F)F)CC1)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is SBIUDMKSCPYDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N5O3/c23-22(24)32-18-8-4-3-7-17(18)21(31)28-13-11-27(12-14-28)15-20(30)26-19-9-10-25-29(19)16-5-1-2-6-16/h3-4,7-10,16,22H,1-2,5-6,11-15H2,(H,26,30).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 447.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 37450617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).