[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

C17H20F2N4O — CID 124608051

IUPAC[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C17H20F2N4O/c1-2-16(14-4-3-13(18)9-15(14)19)22-5-7-23(8-6-22)17(24)12-10-20-21-11-12/h3-4,9-11,16H,2,5-8H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyBHOSDJQQFJBTBO-MRXNPFEDSA-N
MW334.37 g/mol
LogP2.60
Rot. Bonds4

About [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 124608051) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID124608051
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C17H20F2N4O/c1-2-16(14-4-3-13(18)9-15(14)19)22-5-7-23(8-6-22)17(24)12-10-20-21-11-12/h3-4,9-11,16H,2,5-8H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyBHOSDJQQFJBTBO-MRXNPFEDSA-N
XLogP2.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]methanone;dihydrochloride
CID 119894401
[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63085261
3-amino-1-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894411
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide
CID 75469826
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119894372
[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120647394
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]butanethioamide
CID 63340326
3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982891
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide
CID 133341088
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 124608051) is [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is BHOSDJQQFJBTBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-2-16(14-4-3-13(18)9-15(14)19)22-5-7-23(8-6-22)17(24)12-10-20-21-11-12/h3-4,9-11,16H,2,5-8H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 334.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 124608051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).