2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine

C13H17N5 — CID 126946539

IUPAC2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESCc1ncc(CN2CCC(n3cccn3)C2)cn1
InChIInChI=1S/C13H17N5/c1-11-14-7-12(8-15-11)9-17-6-3-13(10-17)18-5-2-4-16-18/h2,4-5,7-8,13H,3,6,9-10H2,1H3
InChIKeyUPLCNHPYWFFLDK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.43
Rot. Bonds3

About 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine

2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine (PubChem CID 126946539) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
PubChem CID126946539
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESCc1ncc(CN2CCC(n3cccn3)C2)cn1
InChIInChI=1S/C13H17N5/c1-11-14-7-12(8-15-11)9-17-6-3-13(10-17)18-5-2-4-16-18/h2,4-5,7-8,13H,3,6,9-10H2,1H3
InChIKeyUPLCNHPYWFFLDK-UHFFFAOYSA-N
XLogP1.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947750
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one
CID 126946527
2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131889268
1-(1-prop-2-enylpyrrolidin-3-yl)pyrazole
CID 130778362
2-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126946513
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
1-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 126946622
2-methyl-3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 126946702
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126946565
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126946602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine (CID 126946539) is 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine is Cc1ncc(CN2CCC(n3cccn3)C2)cn1.
What is the InChIKey of 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine?
The InChIKey is UPLCNHPYWFFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-11-14-7-12(8-15-11)9-17-6-3-13(10-17)18-5-2-4-16-18/h2,4-5,7-8,13H,3,6,9-10H2,1H3.
What are the key properties of 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine?
2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 126946539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).