N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride

C20H28Cl2FN5O — CID 120756360

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C20H26FN5O.2ClH/c21-16-5-3-4-15(12-16)18-13-22-10-11-25(18)14-20(27)24-19-8-9-23-26(19)17-6-1-2-7-17;;/h3-5,8-9,12,17-18,22H,1-2,6-7,10-11,13-14H2,(H,24,27);2*1H
InChIKeyDQPMFFMUNXKLGM-UHFFFAOYSA-N
MW444.38 g/mol
LogP3.57
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride

N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 120756360) has the molecular formula C20H28Cl2FN5O and a molecular weight of 444.38 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID120756360
Molecular FormulaC20H28Cl2FN5O
Molecular Weight444.38 g/mol
Exact Mass443.17
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C20H26FN5O.2ClH/c21-16-5-3-4-15(12-16)18-13-22-10-11-25(18)14-20(27)24-19-8-9-23-26(19)17-6-1-2-7-17;;/h3-5,8-9,12,17-18,22H,1-2,6-7,10-11,13-14H2,(H,24,27);2*1H
InChIKeyDQPMFFMUNXKLGM-UHFFFAOYSA-N
XLogP3.57
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122331
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757938
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120756456
N-(2,6-dichlorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756950
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757022
N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756405
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 120756569
N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756349

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride (CID 120756360) is N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCNCC1c1cccc(F)c1)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is DQPMFFMUNXKLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O.2ClH/c21-16-5-3-4-15(12-16)18-13-22-10-11-25(18)14-20(27)24-19-8-9-23-26(19)17-6-1-2-7-17;;/h3-5,8-9,12,17-18,22H,1-2,6-7,10-11,13-14H2,(H,24,27);2*1H.
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 444.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120756360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).