N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine

C13H17N5O2S — CID 136709613

IUPACN-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2c1cccnc1
InChIInChI=1S/C13H17N5O2S/c1-14-12-11(21(2,19)20)13-16-7-5-10(18(13)17-12)9-4-3-6-15-8-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H,14,17)
InChIKeyWOQIWMWLKHODCJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.13
Rot. Bonds3

About N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine

N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 136709613) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID136709613
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(c1S(C)(=O)=O)NCCC2c1cccnc1
InChIInChI=1S/C13H17N5O2S/c1-14-12-11(21(2,19)20)13-16-7-5-10(18(13)17-12)9-4-3-6-15-8-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H,14,17)
InChIKeyWOQIWMWLKHODCJ-UHFFFAOYSA-N
XLogP1.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-cyclopropyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
CID 136709603
7-(aminomethyl)-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
CID 136933850
7-cyclohexyl-N-methyl-3-methylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine
CID 136709592
ethyl 2-methyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837807
2-methyl-7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840710
2-(4-phenoxyphenyl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 144736070
methyl 7-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 136775723
7-pyridin-3-yl-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838184
2-(3-methylthiophen-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136839273
2-(1-methylimidazol-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709577
3-(1-methylpyrrolidin-2-yl)pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfuric acid
CID 70556127
7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137011955

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine (CID 136709613) is N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(c1S(C)(=O)=O)NCCC2c1cccnc1.
What is the InChIKey of N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is WOQIWMWLKHODCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-14-12-11(21(2,19)20)13-16-7-5-10(18(13)17-12)9-4-3-6-15-8-9/h3-4,6,8,10,16H,5,7H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine?
N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 307.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 136709613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).