6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C16H15N3O3 — CID 125436191

IUPAC6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCO[C@@H](C)c1cccc(-c2cnc3cc(C(=O)O)nn3c2)c1
InChIInChI=1S/C16H15N3O3/c1-10(22-2)11-4-3-5-12(6-11)13-8-17-15-7-14(16(20)21)18-19(15)9-13/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyLRORGBXGSYFFNK-JTQLQIEISA-N
MW297.31 g/mol
LogP2.80
Rot. Bonds4

About 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 125436191) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID125436191
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCO[C@@H](C)c1cccc(-c2cnc3cc(C(=O)O)nn3c2)c1
InChIInChI=1S/C16H15N3O3/c1-10(22-2)11-4-3-5-12(6-11)13-8-17-15-7-14(16(20)21)18-19(15)9-13/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyLRORGBXGSYFFNK-JTQLQIEISA-N
XLogP2.80
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[(1R)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 125436192
2-[3-[(1R)-1-methoxyethyl]phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 125435471
2-[3-(1-methoxyethyl)phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 122556535
6-[3-[(1R)-1-methoxyethyl]phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 126434033
4-[3-(difluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 171433762
6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
CID 122571574
[4-[3-(1-methoxyethyl)phenyl]phenyl]-piperidin-1-ylmethanone
CID 119065535
1-methyl-5-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid
CID 117362743
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371025
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 70759171
2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide
CID 126447046
5-[3-[(1S)-1-methoxyethyl]phenyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 137086671

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 125436191) is 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CO[C@@H](C)c1cccc(-c2cnc3cc(C(=O)O)nn3c2)c1.
What is the InChIKey of 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is LRORGBXGSYFFNK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10(22-2)11-4-3-5-12(6-11)13-8-17-15-7-14(16(20)21)18-19(15)9-13/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(1S)-1-methoxyethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 125436191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).