6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C16H16N4O3 — CID 129284478

IUPAC6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(CN(C)c2cnc3c(C(=O)O)cnn3c2)cc1
InChIInChI=1S/C16H16N4O3/c1-19(9-11-3-5-13(23-2)6-4-11)12-7-17-15-14(16(21)22)8-18-20(15)10-12/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyRSXFSHHPIPKTCO-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.07
Rot. Bonds5

About 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 129284478) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID129284478
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOc1ccc(CN(C)c2cnc3c(C(=O)O)cnn3c2)cc1
InChIInChI=1S/C16H16N4O3/c1-19(9-11-3-5-13(23-2)6-4-11)12-7-17-15-14(16(21)22)8-18-20(15)10-12/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyRSXFSHHPIPKTCO-UHFFFAOYSA-N
XLogP2.07
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81229074
N-[5-[benzyl(methyl)amino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113026912
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
4-[(4-methoxyphenyl)methyl-methylamino]thiophene-2-carboxylic acid
CID 113403958
5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81447512
6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 114514794
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121208399
6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 74243849
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 129284478) is 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COc1ccc(CN(C)c2cnc3c(C(=O)O)cnn3c2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is RSXFSHHPIPKTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-19(9-11-3-5-13(23-2)6-4-11)12-7-17-15-14(16(21)22)8-18-20(15)10-12/h3-8,10H,9H2,1-2H3,(H,21,22).
What are the key properties of 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 129284478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).