6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C16H22N4O3 — CID 125445407

IUPAC6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCN(CCC[C@@H]1CCCO1)Cc1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C16H22N4O3/c1-19(6-2-4-13-5-3-7-23-13)10-12-8-17-15-14(16(21)22)9-18-20(15)11-12/h8-9,11,13H,2-7,10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyCLLDDFIBGMTTQP-CYBMUJFWSA-N
MW318.38 g/mol
LogP1.82
Rot. Bonds7

About 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 125445407) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID125445407
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCN(CCC[C@@H]1CCCO1)Cc1cnc2c(C(=O)O)cnn2c1
InChIInChI=1S/C16H22N4O3/c1-19(6-2-4-13-5-3-7-23-13)10-12-8-17-15-14(16(21)22)9-18-20(15)11-12/h8-9,11,13H,2-7,10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyCLLDDFIBGMTTQP-CYBMUJFWSA-N
XLogP1.82
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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Related Compounds

6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 74243849
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65158366
6-(diethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758971
4-[[methyl-[3-(oxolan-2-yl)propyl]amino]methyl]benzonitrile
CID 77079691
6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 114514794
6-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 58056251
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-propylpyrrolidin-1-yl]methanone
CID 95199911
6-(diethylaminomethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95191738
2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 124842324
3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126453434

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 125445407) is 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CN(CCC[C@@H]1CCCO1)Cc1cnc2c(C(=O)O)cnn2c1.
What is the InChIKey of 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is CLLDDFIBGMTTQP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19(6-2-4-13-5-3-7-23-13)10-12-8-17-15-14(16(21)22)9-18-20(15)11-12/h8-9,11,13H,2-7,10H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 125445407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).