N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide

C22H25Cl2N5O — CID 139979626

IUPACN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide
SMILESCCc1nn(CCNC(=O)Cc2cnccn2)c(CC)c1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H25Cl2N5O/c1-3-20-19(11-15-9-16(23)12-17(24)10-15)21(4-2)29(28-20)8-7-27-22(30)13-18-14-25-5-6-26-18/h5-6,9-10,12,14H,3-4,7-8,11,13H2,1-2H3,(H,27,30)
InChIKeyYCHAXLVPUCVCEZ-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.05
Rot. Bonds9

About N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide

N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide (PubChem CID 139979626) has the molecular formula C22H25Cl2N5O and a molecular weight of 446.38 g/mol. Its IUPAC name is N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide
PubChem CID139979626
Molecular FormulaC22H25Cl2N5O
Molecular Weight446.38 g/mol
Exact Mass445.14
IUPAC NameN-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide
SMILESCCc1nn(CCNC(=O)Cc2cnccn2)c(CC)c1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H25Cl2N5O/c1-3-20-19(11-15-9-16(23)12-17(24)10-15)21(4-2)29(28-20)8-7-27-22(30)13-18-14-25-5-6-26-18/h5-6,9-10,12,14H,3-4,7-8,11,13H2,1-2H3,(H,27,30)
InChIKeyYCHAXLVPUCVCEZ-UHFFFAOYSA-N
XLogP4.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide?
The IUPAC name of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide (CID 139979626) is N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide.
What is the SMILES notation for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide?
The canonical SMILES for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide is CCc1nn(CCNC(=O)Cc2cnccn2)c(CC)c1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide?
The InChIKey is YCHAXLVPUCVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O/c1-3-20-19(11-15-9-16(23)12-17(24)10-15)21(4-2)29(28-20)8-7-27-22(30)13-18-14-25-5-6-26-18/h5-6,9-10,12,14H,3-4,7-8,11,13H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide?
N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide has a molecular weight of 446.38 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,5-dichlorophenyl)methyl]-3,5-diethylpyrazol-1-yl]ethyl]-2-pyrazin-2-ylacetamide is sourced from PubChem (CID 139979626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).