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

C18H28F3N5O3 — CID 155869017

IUPACN-[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
SMILESCC(C)N1Cc2ccnn2C(CCNC(=O)N2CCCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H27N5O.C2HF3O2/c1-13(2)20-11-14(21-15(12-20)6-8-18-21)5-7-17-16(22)19-9-3-4-10-19;3-2(4,5)1(6)7/h6,8,13-14H,3-5,7,9-12H2,1-2H3,(H,17,22);(H,6,7)
InChIKeyOELRGRZJJJAGKR-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.48
Rot. Bonds4

About 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

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 (PubChem CID 155869017) has the molecular formula C18H28F3N5O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID155869017
Molecular FormulaC18H28F3N5O3
Molecular Weight419.45 g/mol
Exact Mass419.21
IUPAC NameN-[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
SMILESCC(C)N1Cc2ccnn2C(CCNC(=O)N2CCCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H27N5O.C2HF3O2/c1-13(2)20-11-14(21-15(12-20)6-8-18-21)5-7-17-16(22)19-9-3-4-10-19;3-2(4,5)1(6)7/h6,8,13-14H,3-5,7,9-12H2,1-2H3,(H,17,22);(H,6,7)
InChIKeyOELRGRZJJJAGKR-UHFFFAOYSA-N
XLogP2.48
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
3,3-difluoro-N-[2-(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]cyclobutane-1-carboxamide
CID 131678218
N-[2-[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide
CID 131677993
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
N-[2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155862879
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
1-(azetidin-1-yl)-2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155864066
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-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155863961
1-[7-[2-(diethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155862663
N-[[(7R)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]benzenesulfonamide
CID 124803263

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1Cc2ccnn2C(CCNC(=O)N2CCCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is OELRGRZJJJAGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.C2HF3O2/c1-13(2)20-11-14(21-15(12-20)6-8-18-21)5-7-17-16(22)19-9-3-4-10-19;3-2(4,5)1(6)7/h6,8,13-14H,3-5,7,9-12H2,1-2H3,(H,17,22);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 419.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155869017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).