2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol

C16H18N4O2 — CID 110924575

IUPAC2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
SMILESCc1occc1-c1cc(NCc2cccnc2)n(CCO)n1
InChIInChI=1S/C16H18N4O2/c1-12-14(4-8-22-12)15-9-16(20(19-15)6-7-21)18-11-13-3-2-5-17-10-13/h2-5,8-10,18,21H,6-7,11H2,1H3
InChIKeyUIXMPVUUGZCAFN-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.45
Rot. Bonds6

About 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol

2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol (PubChem CID 110924575) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
PubChem CID110924575
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
SMILESCc1occc1-c1cc(NCc2cccnc2)n(CCO)n1
InChIInChI=1S/C16H18N4O2/c1-12-14(4-8-22-12)15-9-16(20(19-15)6-7-21)18-11-13-3-2-5-17-10-13/h2-5,8-10,18,21H,6-7,11H2,1H3
InChIKeyUIXMPVUUGZCAFN-UHFFFAOYSA-N
XLogP2.45
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924557
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]oxolane-2-carboxamide
CID 71933978
2-[5-[(2-fluorophenyl)methylamino]-3-(2-methylphenyl)pyrazol-1-yl]ethanol
CID 110924537
2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606229
2-[[[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]amino]methyl]-6-methylpyridin-3-ol
CID 110935658
2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol
CID 75429650
CID 89023491
CID 89023491
6-ethyl-2-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 65418872
3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 35168947
[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol;[7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methanol
CID 157262286
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol (CID 110924575) is 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol is Cc1occc1-c1cc(NCc2cccnc2)n(CCO)n1.
What is the InChIKey of 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol?
The InChIKey is UIXMPVUUGZCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-14(4-8-22-12)15-9-16(20(19-15)6-7-21)18-11-13-3-2-5-17-10-13/h2-5,8-10,18,21H,6-7,11H2,1H3.
What are the key properties of 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol?
2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol has a molecular weight of 298.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 110924575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).