N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C14H20F3N5O2 — CID 70786047

IUPACN,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNC(=O)CCC(F)(F)F)cc2C1
InChIInChI=1S/C14H20F3N5O2/c1-20(2)13(24)21-5-6-22-11(9-21)7-10(19-22)8-18-12(23)3-4-14(15,16)17/h7H,3-6,8-9H2,1-2H3,(H,18,23)
InChIKeyLPVSVKQPUHLFBE-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.34
Rot. Bonds4

About N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 70786047) has the molecular formula C14H20F3N5O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID70786047
Molecular FormulaC14H20F3N5O2
Molecular Weight347.34 g/mol
Exact Mass347.16
IUPAC NameN,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNC(=O)CCC(F)(F)F)cc2C1
InChIInChI=1S/C14H20F3N5O2/c1-20(2)13(24)21-5-6-22-11(9-21)7-10(19-22)8-18-12(23)3-4-14(15,16)17/h7H,3-6,8-9H2,1-2H3,(H,18,23)
InChIKeyLPVSVKQPUHLFBE-UHFFFAOYSA-N
XLogP1.34
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
N~2~-[2-(dimethylamino)ethyl]-N~5~-[(1R)-1,2-dimethylpropyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxamide
CID 50983087
2-{[(N,N-diethyl-beta-alanyl)amino]methyl}-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 70726192
N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
CID 70732583
N-({5-[3-(methylthio)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
CID 70765962
N,N-dimethyl-N'-({5-[3-(methylthio)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methyl)urea
CID 70768911
N,N-dimethyl-2-({[3-(methylthio)propanoyl]amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 70780461
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72841184
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 72875294
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72890234
2-({[3-(ethylthio)propanoyl]amino}methyl)-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 72922207
N,N-dimethyl-2-({[3-(6-methyl-2-oxopyridin-1(2H)-yl)propanoyl]amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 72885927

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 70786047) is N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CN(C)C(=O)N1CCn2nc(CNC(=O)CCC(F)(F)F)cc2C1.
What is the InChIKey of N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is LPVSVKQPUHLFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2/c1-20(2)13(24)21-5-6-22-11(9-21)7-10(19-22)8-18-12(23)3-4-14(15,16)17/h7H,3-6,8-9H2,1-2H3,(H,18,23).
What are the key properties of N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4,4,4-trifluorobutanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 70786047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).