1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol

C14H19N5O — CID 45248743

IUPAC1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol
SMILESCc1cnc(N2CCCC(O)C2)nc1-c1ccnn1C
InChIInChI=1S/C14H19N5O/c1-10-8-15-14(19-7-3-4-11(20)9-19)17-13(10)12-5-6-16-18(12)2/h5-6,8,11,20H,3-4,7,9H2,1-2H3
InChIKeyMDFSGIOCTHRNNE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.15
Rot. Bonds2

About 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol

1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol (PubChem CID 45248743) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol
PubChem CID45248743
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol
SMILESCc1cnc(N2CCCC(O)C2)nc1-c1ccnn1C
InChIInChI=1S/C14H19N5O/c1-10-8-15-14(19-7-3-4-11(20)9-19)17-13(10)12-5-6-16-18(12)2/h5-6,8,11,20H,3-4,7,9H2,1-2H3
InChIKeyMDFSGIOCTHRNNE-UHFFFAOYSA-N
XLogP1.15
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol (CID 45248743) is 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol is Cc1cnc(N2CCCC(O)C2)nc1-c1ccnn1C.
What is the InChIKey of 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is MDFSGIOCTHRNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-8-15-14(19-7-3-4-11(20)9-19)17-13(10)12-5-6-16-18(12)2/h5-6,8,11,20H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol?
1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 273.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 45248743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).