2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide

C20H25FN4O — CID 131678185

IUPAC2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
SMILESO=C(CC1CC1)NCCC1CN(Cc2cccc(F)c2)Cc2ccnn21
InChIInChI=1S/C20H25FN4O/c21-17-3-1-2-16(10-17)12-24-13-18(25-19(14-24)7-9-23-25)6-8-22-20(26)11-15-4-5-15/h1-3,7,9-10,15,18H,4-6,8,11-14H2,(H,22,26)
InChIKeyYUUQZQOFNVFQNA-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.89
Rot. Bonds7

About 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide

2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide (PubChem CID 131678185) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
PubChem CID131678185
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
SMILESO=C(CC1CC1)NCCC1CN(Cc2cccc(F)c2)Cc2ccnn21
InChIInChI=1S/C20H25FN4O/c21-17-3-1-2-16(10-17)12-24-13-18(25-19(14-24)7-9-23-25)6-8-22-20(26)11-15-4-5-15/h1-3,7,9-10,15,18H,4-6,8,11-14H2,(H,22,26)
InChIKeyYUUQZQOFNVFQNA-UHFFFAOYSA-N
XLogP2.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[2-[(7R)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide
CID 124801608
N-[2-[(7R)-5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124813571
N-[2-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131677673
N-[2-[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 131677846
N-[2-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclopropanesulfonamide
CID 131677839
3-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,1-dimethylurea
CID 131660122
5-[(3-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155844137
7-(cyclopropylmethoxymethyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155828028
N-methyl-2-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677523
2-[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155861561
N-[2-[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155864436
N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide
CID 131677993

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide (CID 131678185) is 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide is O=C(CC1CC1)NCCC1CN(Cc2cccc(F)c2)Cc2ccnn21.
What is the InChIKey of 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide?
The InChIKey is YUUQZQOFNVFQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-17-3-1-2-16(10-17)12-24-13-18(25-19(14-24)7-9-23-25)6-8-22-20(26)11-15-4-5-15/h1-3,7,9-10,15,18H,4-6,8,11-14H2,(H,22,26).
What are the key properties of 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide?
2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[5-[(3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]acetamide is sourced from PubChem (CID 131678185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).