1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide

C16H20F2N6O2 — CID 118775367

IUPAC1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide
SMILESCC(C)C(=O)N1CCn2nc(CNC(=O)c3ccn(C(F)F)n3)cc2C1
InChIInChI=1S/C16H20F2N6O2/c1-10(2)15(26)22-5-6-23-12(9-22)7-11(20-23)8-19-14(25)13-3-4-24(21-13)16(17)18/h3-4,7,10,16H,5-6,8-9H2,1-2H3,(H,19,25)
InChIKeyHXXVXYVXQULKGX-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.40
Rot. Bonds5

About 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 118775367) has the molecular formula C16H20F2N6O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID118775367
Molecular FormulaC16H20F2N6O2
Molecular Weight366.37 g/mol
Exact Mass366.16
IUPAC Name1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide
SMILESCC(C)C(=O)N1CCn2nc(CNC(=O)c3ccn(C(F)F)n3)cc2C1
InChIInChI=1S/C16H20F2N6O2/c1-10(2)15(26)22-5-6-23-12(9-22)7-11(20-23)8-19-14(25)13-3-4-24(21-13)16(17)18/h3-4,7,10,16H,5-6,8-9H2,1-2H3,(H,19,25)
InChIKeyHXXVXYVXQULKGX-UHFFFAOYSA-N
XLogP1.40
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 118776714
4-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 118773964
N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]thiomorpholine-4-carboxamide
CID 122562948
4-methoxy-3-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 118767725
N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 121496207
7-methyl-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 118764235
2-ethoxy-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 118780463
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
CID 122566386
2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72937666
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
1-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
CID 125447956
2-methyl-1-[2-(piperazin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 177354703

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide (CID 118775367) is 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide is CC(C)C(=O)N1CCn2nc(CNC(=O)c3ccn(C(F)F)n3)cc2C1.
What is the InChIKey of 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is HXXVXYVXQULKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O2/c1-10(2)15(26)22-5-6-23-12(9-22)7-11(20-23)8-19-14(25)13-3-4-24(21-13)16(17)18/h3-4,7,10,16H,5-6,8-9H2,1-2H3,(H,19,25).
What are the key properties of 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[[5-(2-methylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 118775367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).