N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid

C19H24F3N5O4 — CID 155866383

IUPACN-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CN(Cc2ccoc2)Cc2ccnn21)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O2.C2HF3O2/c23-17(21-6-1-2-7-21)18-9-16-12-20(10-14-4-8-24-13-14)11-15-3-5-19-22(15)16;3-2(4,5)1(6)7/h3-5,8,13,16H,1-2,6-7,9-12H2,(H,18,23);(H,6,7)
InChIKeyRYPVVZGMMDIIQC-UHFFFAOYSA-N
MW443.43 g/mol
LogP2.47
Rot. Bonds4

About N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid

N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155866383) has the molecular formula C19H24F3N5O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155866383
Molecular FormulaC19H24F3N5O4
Molecular Weight443.43 g/mol
Exact Mass443.18
IUPAC NameN-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CN(Cc2ccoc2)Cc2ccnn21)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O2.C2HF3O2/c23-17(21-6-1-2-7-21)18-9-16-12-20(10-14-4-8-24-13-14)11-15-3-5-19-22(15)16;3-2(4,5)1(6)7/h3-5,8,13,16H,1-2,6-7,9-12H2,(H,18,23);(H,6,7)
InChIKeyRYPVVZGMMDIIQC-UHFFFAOYSA-N
XLogP2.47
TPSA103.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide
CID 131678201
N-[[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide
CID 131678553
N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 155826888
N-[2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155861935
3-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,1-dimethylurea
CID 131660122
N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155869017
2-cyclopropyl-N-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155847923
N-methyl-2-[5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155860747
N-[[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155863419
N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155832503
N-[[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155865427
(7R)-5-(furan-3-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790479

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155866383) is N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CN(Cc2ccoc2)Cc2ccnn21)N1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RYPVVZGMMDIIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.C2HF3O2/c23-17(21-6-1-2-7-21)18-9-16-12-20(10-14-4-8-24-13-14)11-15-3-5-19-22(15)16;3-2(4,5)1(6)7/h3-5,8,13,16H,1-2,6-7,9-12H2,(H,18,23);(H,6,7).
What are the key properties of N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 443.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155866383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).