3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

C21H30N6O — CID 56699807

IUPAC3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1nc(N2CCN(C(=O)CCC3CCCCC3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C21H30N6O/c1-17-23-19(16-20(24-17)27-11-5-10-22-27)25-12-14-26(15-13-25)21(28)9-8-18-6-3-2-4-7-18/h5,10-11,16,18H,2-4,6-9,12-15H2,1H3
InChIKeyFZXBZUCAXKILNF-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.98
Rot. Bonds5

About 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 56699807) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID56699807
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCc1nc(N2CCN(C(=O)CCC3CCCCC3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C21H30N6O/c1-17-23-19(16-20(24-17)27-11-5-10-22-27)25-12-14-26(15-13-25)21(28)9-8-18-6-3-2-4-7-18/h5,10-11,16,18H,2-4,6-9,12-15H2,1H3
InChIKeyFZXBZUCAXKILNF-UHFFFAOYSA-N
XLogP2.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 56699807) is 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is Cc1nc(N2CCN(C(=O)CCC3CCCCC3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is FZXBZUCAXKILNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-17-23-19(16-20(24-17)27-11-5-10-22-27)25-12-14-26(15-13-25)21(28)9-8-18-6-3-2-4-7-18/h5,10-11,16,18H,2-4,6-9,12-15H2,1H3.
What are the key properties of 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 382.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56699807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).