[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C21H23FN6O — CID 131952839

IUPAC[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNc1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C21H23FN6O/c1-14-18(15(2)28(26-14)17-7-5-16(22)6-8-17)11-24-20-13-23-12-19(25-20)21(29)27-9-3-4-10-27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,24,25)
InChIKeyKQLDOOWHNAWZTP-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.27
Rot. Bonds5

About [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131952839) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID131952839
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNc1cncc(C(=O)N2CCCC2)n1
InChIInChI=1S/C21H23FN6O/c1-14-18(15(2)28(26-14)17-7-5-16(22)6-8-17)11-24-20-13-23-12-19(25-20)21(29)27-9-3-4-10-27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,24,25)
InChIKeyKQLDOOWHNAWZTP-UHFFFAOYSA-N
XLogP3.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrazin-2-amine
CID 134698262
1-[4-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802531
[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134710262
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 47814711
[6-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116818
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-thiomorpholin-4-ylethanone
CID 56815935
1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-3,3-dimethylbutan-2-ol
CID 111119123
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51246088
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804335
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562254
1-[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 119166161

Frequently Asked Questions

What is the IUPAC name of [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 131952839) is [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cncc(C(=O)N2CCCC2)n1.
What is the InChIKey of [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KQLDOOWHNAWZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-14-18(15(2)28(26-14)17-7-5-16(22)6-8-17)11-24-20-13-23-12-19(25-20)21(29)27-9-3-4-10-27/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,24,25).
What are the key properties of [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 394.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131952839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).