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

C20H30F3N5O4 — CID 155832503

IUPACN-[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
SMILESO=C(NCCC1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N5O2.C2HF3O2/c24-18(21-9-1-2-10-21)19-7-3-16-13-22(15-5-11-25-12-6-15)14-17-4-8-20-23(16)17;3-2(4,5)1(6)7/h4,8,15-16H,1-3,5-7,9-14H2,(H,19,24);(H,6,7)
InChIKeySDYAYYMQBRWDFA-UHFFFAOYSA-N
MW461.49 g/mol
LogP2.25
Rot. Bonds4

About 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

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 (PubChem CID 155832503) has the molecular formula C20H30F3N5O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155832503
Molecular FormulaC20H30F3N5O4
Molecular Weight461.49 g/mol
Exact Mass461.22
IUPAC NameN-[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
SMILESO=C(NCCC1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H29N5O2.C2HF3O2/c24-18(21-9-1-2-10-21)19-7-3-16-13-22(15-5-11-25-12-6-15)14-17-4-8-20-23(16)17;3-2(4,5)1(6)7/h4,8,15-16H,1-3,5-7,9-14H2,(H,19,24);(H,6,7)
InChIKeySDYAYYMQBRWDFA-UHFFFAOYSA-N
XLogP2.25
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

5-(oxan-4-yl)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830284
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
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
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155850249
N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
CID 124781272
5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826068
N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 124895374
2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155836241
N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide
CID 131677993
2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155844178
2-[(7R)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone
CID 124790894
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCCC1CN(C2CCOCC2)Cc2ccnn21)N1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is SDYAYYMQBRWDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.C2HF3O2/c24-18(21-9-1-2-10-21)19-7-3-16-13-22(15-5-11-25-12-6-15)14-17-4-8-20-23(16)17;3-2(4,5)1(6)7/h4,8,15-16H,1-3,5-7,9-14H2,(H,19,24);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 461.49 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155832503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).