2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

C17H24N6 — CID 163357654

IUPAC2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1ccnc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1
InChIInChI=1S/C17H24N6/c1-13-6-7-18-17(19-13)23-10-8-22(9-11-23)12-16-14-4-3-5-15(14)20-21(16)2/h6-7H,3-5,8-12H2,1-2H3
InChIKeyVXXDEHFMSNNTQD-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.33
Rot. Bonds3

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

2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 163357654) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID163357654
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1ccnc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1
InChIInChI=1S/C17H24N6/c1-13-6-7-18-17(19-13)23-10-8-22(9-11-23)12-16-14-4-3-5-15(14)20-21(16)2/h6-7H,3-5,8-12H2,1-2H3
InChIKeyVXXDEHFMSNNTQD-UHFFFAOYSA-N
XLogP1.33
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.33
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-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 163357654) is 2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cc1ccnc(N2CCN(Cc3c4c(nn3C)CCC4)CC2)n1.
What is the InChIKey of 2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is VXXDEHFMSNNTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-13-6-7-18-17(19-13)23-10-8-22(9-11-23)12-16-14-4-3-5-15(14)20-21(16)2/h6-7H,3-5,8-12H2,1-2H3.
What are the key properties of 2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 312.42 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 163357654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).