2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

C21H31N5O — CID 155941912

IUPAC2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1nc(C)c(C)c(OCC2CCN(Cc3c4c(nn3C)CCC4)CC2)n1
InChIInChI=1S/C21H31N5O/c1-14-15(2)22-16(3)23-21(14)27-13-17-8-10-26(11-9-17)12-20-18-6-5-7-19(18)24-25(20)4/h17H,5-13H2,1-4H3
InChIKeyDRNQUEXMEMBUHZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.92
Rot. Bonds5

About 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 155941912) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID155941912
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1nc(C)c(C)c(OCC2CCN(Cc3c4c(nn3C)CCC4)CC2)n1
InChIInChI=1S/C21H31N5O/c1-14-15(2)22-16(3)23-21(14)27-13-17-8-10-26(11-9-17)12-20-18-6-5-7-19(18)24-25(20)4/h17H,5-13H2,1-4H3
InChIKeyDRNQUEXMEMBUHZ-UHFFFAOYSA-N
XLogP2.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 155941912) is 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cc1nc(C)c(C)c(OCC2CCN(Cc3c4c(nn3C)CCC4)CC2)n1.
What is the InChIKey of 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is DRNQUEXMEMBUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-14-15(2)22-16(3)23-21(14)27-13-17-8-10-26(11-9-17)12-20-18-6-5-7-19(18)24-25(20)4/h17H,5-13H2,1-4H3.
What are the key properties of 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 369.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 155941912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).