3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C14H13FN4O3 — CID 121301704

IUPAC3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESNC(=O)C1=C(c2cccc(F)c2)NN2CCN(C(=O)O)C=C12
InChIInChI=1S/C14H13FN4O3/c15-9-3-1-2-8(6-9)12-11(13(16)20)10-7-18(14(21)22)4-5-19(10)17-12/h1-3,6-7,17H,4-5H2,(H2,16,20)(H,21,22)
InChIKeyPYPJUFQDPDKZCC-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.68
Rot. Bonds2

About 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 121301704) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID121301704
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESNC(=O)C1=C(c2cccc(F)c2)NN2CCN(C(=O)O)C=C12
InChIInChI=1S/C14H13FN4O3/c15-9-3-1-2-8(6-9)12-11(13(16)20)10-7-18(14(21)22)4-5-19(10)17-12/h1-3,6-7,17H,4-5H2,(H2,16,20)(H,21,22)
InChIKeyPYPJUFQDPDKZCC-UHFFFAOYSA-N
XLogP0.68
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-hydroxy-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233716
2-benzyl-4-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 70902443
2-(4-fluorophenyl)-5-oxo-1H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 91137211
2-benzyl-5-butyl-4-[[(3-fluorophenyl)methyl-methylamino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 118476564
1-[[2-(Difluoromethyl)phenyl]methyl]-3-oxo-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 138471929
2-[5-(4-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]acetic acid
CID 53337365
5-[1-(4-fluorophenyl)ethyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494977
5-[(2-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495176
5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495177
1-Ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbohydrazide
CID 82519598
N-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
CID 166244177
5-[(3-Fluorophenyl)methyl]-6-methyl-1,2,3,3a-tetrahydrotriazolo[1,5-a]pyrazin-4-one
CID 167997150

Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 121301704) is 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is NC(=O)C1=C(c2cccc(F)c2)NN2CCN(C(=O)O)C=C12.
What is the InChIKey of 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is PYPJUFQDPDKZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3/c15-9-3-1-2-8(6-9)12-11(13(16)20)10-7-18(14(21)22)4-5-19(10)17-12/h1-3,6-7,17H,4-5H2,(H2,16,20)(H,21,22).
What are the key properties of 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2-(3-fluorophenyl)-6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 121301704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).