N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

C18H22FN3O — CID 46489384

IUPACN-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1CCCC1
InChIInChI=1S/C18H22FN3O/c1-12-17(11-18(23)20-15-5-3-4-6-15)13(2)22(21-12)16-9-7-14(19)8-10-16/h7-10,15H,3-6,11H2,1-2H3,(H,20,23)
InChIKeyJGCWITNSBFIADE-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.23
Rot. Bonds4

About N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 46489384) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID46489384
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1CCCC1
InChIInChI=1S/C18H22FN3O/c1-12-17(11-18(23)20-15-5-3-4-6-15)13(2)22(21-12)16-9-7-14(19)8-10-16/h7-10,15H,3-6,11H2,1-2H3,(H,20,23)
InChIKeyJGCWITNSBFIADE-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 98365516
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 110008464
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555554
N-[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 97065533
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562254
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948428
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-hydroxypropan-2-yl)acetamide
CID 78884101
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoic acid
CID 119220770
N-[3-(aminomethyl)pentan-3-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119570615

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 46489384) is N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is JGCWITNSBFIADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-12-17(11-18(23)20-15-5-3-4-6-15)13(2)22(21-12)16-9-7-14(19)8-10-16/h7-10,15H,3-6,11H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 46489384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).