3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide

C19H25FN4O2 — CID 90650539

IUPAC3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
SMILESCc1ccc(F)cc1CN1CCn2nc(C(O)CC(=O)N(C)C)cc2C1
InChIInChI=1S/C19H25FN4O2/c1-13-4-5-15(20)8-14(13)11-23-6-7-24-16(12-23)9-17(21-24)18(25)10-19(26)22(2)3/h4-5,8-9,18,25H,6-7,10-12H2,1-3H3
InChIKeyGNUIVNRVBXVLAV-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.86
Rot. Bonds5

About 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide

3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide (PubChem CID 90650539) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
PubChem CID90650539
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
SMILESCc1ccc(F)cc1CN1CCn2nc(C(O)CC(=O)N(C)C)cc2C1
InChIInChI=1S/C19H25FN4O2/c1-13-4-5-15(20)8-14(13)11-23-6-7-24-16(12-23)9-17(21-24)18(25)10-19(26)22(2)3/h4-5,8-9,18,25H,6-7,10-12H2,1-3H3
InChIKeyGNUIVNRVBXVLAV-UHFFFAOYSA-N
XLogP1.86
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The IUPAC name of 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide (CID 90650539) is 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide is Cc1ccc(F)cc1CN1CCn2nc(C(O)CC(=O)N(C)C)cc2C1.
What is the InChIKey of 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
The InChIKey is GNUIVNRVBXVLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-13-4-5-15(20)8-14(13)11-23-6-7-24-16(12-23)9-17(21-24)18(25)10-19(26)22(2)3/h4-5,8-9,18,25H,6-7,10-12H2,1-3H3.
What are the key properties of 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide?
3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide has a molecular weight of 360.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide is sourced from PubChem (CID 90650539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).