6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine

C12H16N4 — CID 84681999

IUPAC6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnc2cc(CC3CCNC3)nn2c1
InChIInChI=1S/C12H16N4/c1-9-6-14-12-5-11(15-16(12)8-9)4-10-2-3-13-7-10/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyXDVUPITVXVLYLF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.19
Rot. Bonds2

About 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine

6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 84681999) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID84681999
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnc2cc(CC3CCNC3)nn2c1
InChIInChI=1S/C12H16N4/c1-9-6-14-12-5-11(15-16(12)8-9)4-10-2-3-13-7-10/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyXDVUPITVXVLYLF-UHFFFAOYSA-N
XLogP1.19
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
5-methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 63205847
2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 125017846
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130107
1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
CID 115092355
4-methyl-6-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 83858474
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine (CID 84681999) is 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine is Cc1cnc2cc(CC3CCNC3)nn2c1.
What is the InChIKey of 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XDVUPITVXVLYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-6-14-12-5-11(15-16(12)8-9)4-10-2-3-13-7-10/h5-6,8,10,13H,2-4,7H2,1H3.
What are the key properties of 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine?
6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84681999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).