5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C14H10F2N4O2 — CID 154402511

IUPAC5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(NCc3cc(F)ccc3F)nc12
InChIInChI=1S/C14H10F2N4O2/c15-9-1-2-11(16)8(5-9)6-17-12-3-4-20-13(19-12)10(7-18-20)14(21)22/h1-5,7H,6H2,(H,17,19)(H,21,22)
InChIKeyJVDLUJVOPQMDGP-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.32
Rot. Bonds4

About 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 154402511) has the molecular formula C14H10F2N4O2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID154402511
Molecular FormulaC14H10F2N4O2
Molecular Weight304.26 g/mol
Exact Mass304.08
IUPAC Name5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2ccc(NCc3cc(F)ccc3F)nc12
InChIInChI=1S/C14H10F2N4O2/c15-9-1-2-11(16)8(5-9)6-17-12-3-4-20-13(19-12)10(7-18-20)14(21)22/h1-5,7H,6H2,(H,17,19)(H,21,22)
InChIKeyJVDLUJVOPQMDGP-UHFFFAOYSA-N
XLogP2.32
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,3-difluoro-6-hydroxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 134210798
5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677802
5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
ethyl 5-[[5-fluoro-2-[(2R)-2-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;fluoromethane
CID 145224721
5-[[(1R)-1-[5-fluoro-2-[(2S)-1-hydroxypropan-2-yl]sulfanylphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 153354149
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677518
2-[(2,5-difluorophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382350
5-[(3-fluorophenyl)methylamino]-N-(4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171356498
5-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-2-amine
CID 55235504
5-[(2,6-dimethoxyphenyl)methylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063283
5-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680695

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 154402511) is 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2ccc(NCc3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is JVDLUJVOPQMDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2/c15-9-1-2-11(16)8(5-9)6-17-12-3-4-20-13(19-12)10(7-18-20)14(21)22/h1-5,7H,6H2,(H,17,19)(H,21,22).
What are the key properties of 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 304.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 154402511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).