7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C16H16N4O4 — CID 168595331

IUPAC7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(-c3cccc(NCC(O)CO)c3)n2n1
InChIInChI=1S/C16H16N4O4/c21-9-12(22)8-18-11-3-1-2-10(6-11)14-4-5-17-15-7-13(16(23)24)19-20(14)15/h1-7,12,18,21-22H,8-9H2,(H,23,24)
InChIKeyJZBSAHAECMSHNW-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.86
Rot. Bonds6

About 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 168595331) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID168595331
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(-c3cccc(NCC(O)CO)c3)n2n1
InChIInChI=1S/C16H16N4O4/c21-9-12(22)8-18-11-3-1-2-10(6-11)14-4-5-17-15-7-13(16(23)24)19-20(14)15/h1-7,12,18,21-22H,8-9H2,(H,23,24)
InChIKeyJZBSAHAECMSHNW-UHFFFAOYSA-N
XLogP0.86
TPSA119.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

7-[3-(1,2,2-tricyanoethenylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 168609279
7-[3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 168539593
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 58970141
7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200540
pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 125456084
3-[3-(1-methylpyrazol-4-yl)anilino]propane-1,2-diol
CID 168594834
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200521
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
7-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4774397
3-[3-(2-methylphenyl)anilino]propane-1,2-diol
CID 168596529
N-(4-acetamidophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264403
2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 168523396

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 168595331) is 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nccc(-c3cccc(NCC(O)CO)c3)n2n1.
What is the InChIKey of 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is JZBSAHAECMSHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c21-9-12(22)8-18-11-3-1-2-10(6-11)14-4-5-17-15-7-13(16(23)24)19-20(14)15/h1-7,12,18,21-22H,8-9H2,(H,23,24).
What are the key properties of 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 328.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 168595331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).