5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C15H15FN4O2 — CID 134787719

IUPAC5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCNC(=O)c1cnn2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C15H15FN4O2/c1-17-14(21)11-8-18-20-7-6-19(9-13(11)20)15(22)10-4-2-3-5-12(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,21)
InChIKeyMGHILBJPJINEMW-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.04
Rot. Bonds2

About 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134787719) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID134787719
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCNC(=O)c1cnn2c1CN(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C15H15FN4O2/c1-17-14(21)11-8-18-20-7-6-19(9-13(11)20)15(22)10-4-2-3-5-12(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,21)
InChIKeyMGHILBJPJINEMW-UHFFFAOYSA-N
XLogP1.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
5-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 29095767
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198
methyl 4-(2-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798338
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-(2-fluorophenyl)methanone
CID 97413535
5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 166721274
5-N-(3,4-difluorophenyl)-3-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 162616186

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 134787719) is 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is CNC(=O)c1cnn2c1CN(C(=O)c1ccccc1F)CC2.
What is the InChIKey of 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is MGHILBJPJINEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-17-14(21)11-8-18-20-7-6-19(9-13(11)20)15(22)10-4-2-3-5-12(10)16/h2-5,8H,6-7,9H2,1H3,(H,17,21).
What are the key properties of 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134787719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).