2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide

C23H34FN5O — CID 34993291

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H34FN5O/c1-17(2)16-29-19(4)22(18(3)26-29)15-23(30)25-9-10-27-11-13-28(14-12-27)21-7-5-20(24)6-8-21/h5-8,17H,9-16H2,1-4H3,(H,25,30)
InChIKeyQMVKZYRLWKTSMH-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.78
Rot. Bonds8

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 34993291) has the molecular formula C23H34FN5O and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID34993291
Molecular FormulaC23H34FN5O
Molecular Weight415.56 g/mol
Exact Mass415.27
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H34FN5O/c1-17(2)16-29-19(4)22(18(3)26-29)15-23(30)25-9-10-27-11-13-28(14-12-27)21-7-5-20(24)6-8-21/h5-8,17H,9-16H2,1-4H3,(H,25,30)
InChIKeyQMVKZYRLWKTSMH-UHFFFAOYSA-N
XLogP2.78
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161652
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
N-(3-aminobutyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide;hydrochloride
CID 119497602
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31592780
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55849804
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide (CID 34993291) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is QMVKZYRLWKTSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN5O/c1-17(2)16-29-19(4)22(18(3)26-29)15-23(30)25-9-10-27-11-13-28(14-12-27)21-7-5-20(24)6-8-21/h5-8,17H,9-16H2,1-4H3,(H,25,30).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 34993291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).