N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

C20H25ClFN7O — CID 120871390

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCNCC2c2nccn2C)n(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C20H24FN7O.ClH/c1-14-11-18(28(25-14)16-5-3-15(21)4-6-16)24-19(29)13-27-10-7-22-12-17(27)20-23-8-9-26(20)2;/h3-6,8-9,11,17,22H,7,10,12-13H2,1-2H3,(H,24,29);1H
InChIKeyZNFBHQOUPSQEIF-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120871390) has the molecular formula C20H25ClFN7O and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120871390
Molecular FormulaC20H25ClFN7O
Molecular Weight433.92 g/mol
Exact Mass433.18
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCNCC2c2nccn2C)n(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C20H24FN7O.ClH/c1-14-11-18(28(25-14)16-5-3-15(21)4-6-16)24-19(29)13-27-10-7-22-12-17(27)20-23-8-9-26(20)2;/h3-6,8-9,11,17,22H,7,10,12-13H2,1-2H3,(H,24,29);1H
InChIKeyZNFBHQOUPSQEIF-UHFFFAOYSA-N
XLogP2.06
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2-ethyl-6-methylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870414
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871463
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869918
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
CID 120870143
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870482
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
N-(3-chlorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871305

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 120871390) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is Cc1cc(NC(=O)CN2CCNCC2c2nccn2C)n(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is ZNFBHQOUPSQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O.ClH/c1-14-11-18(28(25-14)16-5-3-15(21)4-6-16)24-19(29)13-27-10-7-22-12-17(27)20-23-8-9-26(20)2;/h3-6,8-9,11,17,22H,7,10,12-13H2,1-2H3,(H,24,29);1H.
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 433.92 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120871390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).