4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine

C17H19N5O2 — CID 50981604

IUPAC4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)ncn1
InChIInChI=1S/C17H19N5O2/c1-23-17-10-16(18-11-19-17)22-6-4-12(5-7-22)13-9-14(21-20-13)15-3-2-8-24-15/h2-3,8-12H,4-7H2,1H3,(H,20,21)
InChIKeyCFNGRHIKSQKAGR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.85
Rot. Bonds4

About 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine

4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine (PubChem CID 50981604) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine
PubChem CID50981604
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)ncn1
InChIInChI=1S/C17H19N5O2/c1-23-17-10-16(18-11-19-17)22-6-4-12(5-7-22)13-9-14(21-20-13)15-3-2-8-24-15/h2-3,8-12H,4-7H2,1H3,(H,20,21)
InChIKeyCFNGRHIKSQKAGR-UHFFFAOYSA-N
XLogP2.85
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine (CID 50981604) is 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)ncn1.
What is the InChIKey of 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine?
The InChIKey is CFNGRHIKSQKAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-17-10-16(18-11-19-17)22-6-4-12(5-7-22)13-9-14(21-20-13)15-3-2-8-24-15/h2-3,8-12H,4-7H2,1H3,(H,20,21).
What are the key properties of 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine?
4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine has a molecular weight of 325.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 50981604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).