[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone

C23H24FN7O — CID 19441761

IUPAC[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCc1c(-c2ccnc3cc(C(=O)N4CCN(Cc5cccc(F)c5)CC4)nn23)cnn1C
InChIInChI=1S/C23H24FN7O/c1-16-19(14-26-28(16)2)21-6-7-25-22-13-20(27-31(21)22)23(32)30-10-8-29(9-11-30)15-17-4-3-5-18(24)12-17/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyCZBYINNUAFUFSX-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.54
Rot. Bonds4

About [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone

[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19441761) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19441761
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCc1c(-c2ccnc3cc(C(=O)N4CCN(Cc5cccc(F)c5)CC4)nn23)cnn1C
InChIInChI=1S/C23H24FN7O/c1-16-19(14-26-28(16)2)21-6-7-25-22-13-20(27-31(21)22)23(32)30-10-8-29(9-11-30)15-17-4-3-5-18(24)12-17/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyCZBYINNUAFUFSX-UHFFFAOYSA-N
XLogP2.54
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 19441764
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 19279228
(2,5-dimethylpyrazol-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479068
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466638
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70730781
N-[3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 51999302
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 19473137
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 91839385
1-[(3-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 56895511
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methyl-4-nitropyrazol-3-yl)methanone
CID 19279160
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441788

Frequently Asked Questions

What is the IUPAC name of [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19441761) is [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone is Cc1c(-c2ccnc3cc(C(=O)N4CCN(Cc5cccc(F)c5)CC4)nn23)cnn1C.
What is the InChIKey of [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is CZBYINNUAFUFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-16-19(14-26-28(16)2)21-6-7-25-22-13-20(27-31(21)22)23(32)30-10-8-29(9-11-30)15-17-4-3-5-18(24)12-17/h3-7,12-14H,8-11,15H2,1-2H3.
What are the key properties of [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone?
[7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 433.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19441761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).