1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol

C18H26N6O — CID 163354538

IUPAC1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol
SMILESCc1nc(N2CCN(CC3(O)CCCC3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C18H26N6O/c1-15-20-16(13-17(21-15)24-8-4-7-19-24)23-11-9-22(10-12-23)14-18(25)5-2-3-6-18/h4,7-8,13,25H,2-3,5-6,9-12,14H2,1H3
InChIKeyCRRSXUSRNWVDRP-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.40
Rot. Bonds4

About 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol

1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol (PubChem CID 163354538) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol
PubChem CID163354538
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol
SMILESCc1nc(N2CCN(CC3(O)CCCC3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C18H26N6O/c1-15-20-16(13-17(21-15)24-8-4-7-19-24)23-11-9-22(10-12-23)14-18(25)5-2-3-6-18/h4,7-8,13,25H,2-3,5-6,9-12,14H2,1H3
InChIKeyCRRSXUSRNWVDRP-UHFFFAOYSA-N
XLogP1.40
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-(hydroxymethyl)-1-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-ol
CID 56748397
4-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 165432983
4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354551
2-methyl-4-[4-[2-(4-methylpyrazol-1-yl)ethyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 163346366
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
4-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 166605280
3,3,3-trifluoro-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122337820
3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56699807
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240
2-methyl-4-(4-methylsulfonylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 121072523
4-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3-oxazole
CID 163349540
4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]oxolan-3-ol
CID 163352663

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol (CID 163354538) is 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol is Cc1nc(N2CCN(CC3(O)CCCC3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol?
The InChIKey is CRRSXUSRNWVDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15-20-16(13-17(21-15)24-8-4-7-19-24)23-11-9-22(10-12-23)14-18(25)5-2-3-6-18/h4,7-8,13,25H,2-3,5-6,9-12,14H2,1H3.
What are the key properties of 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol?
1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol has a molecular weight of 342.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 163354538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).