2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol

C17H17N7O2 — CID 135258026

IUPAC2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2ccc(-c3cn[nH]c3)o2)c(-c2ncccn2)n1
InChIInChI=1S/C17H17N7O2/c25-7-6-24-11-14(16(23-24)17-18-4-1-5-19-17)20-10-13-2-3-15(26-13)12-8-21-22-9-12/h1-5,8-9,11,20,25H,6-7,10H2,(H,21,22)
InChIKeyTYQYEFGWVMLGHN-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.93
Rot. Bonds7

About 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol

2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol (PubChem CID 135258026) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol
PubChem CID135258026
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2ccc(-c3cn[nH]c3)o2)c(-c2ncccn2)n1
InChIInChI=1S/C17H17N7O2/c25-7-6-24-11-14(16(23-24)17-18-4-1-5-19-17)20-10-13-2-3-15(26-13)12-8-21-22-9-12/h1-5,8-9,11,20,25H,6-7,10H2,(H,21,22)
InChIKeyTYQYEFGWVMLGHN-UHFFFAOYSA-N
XLogP1.93
TPSA117.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol (CID 135258026) is 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol is OCCn1cc(NCc2ccc(-c3cn[nH]c3)o2)c(-c2ncccn2)n1.
What is the InChIKey of 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol?
The InChIKey is TYQYEFGWVMLGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c25-7-6-24-11-14(16(23-24)17-18-4-1-5-19-17)20-10-13-2-3-15(26-13)12-8-21-22-9-12/h1-5,8-9,11,20,25H,6-7,10H2,(H,21,22).
What are the key properties of 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol?
2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol has a molecular weight of 351.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(1H-pyrazol-4-yl)furan-2-yl]methylamino]-3-pyrimidin-2-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 135258026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).