2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol

C18H20N4O — CID 71922317

IUPAC2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol
SMILESCn1cc(CNc2ccc(CCO)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-6-9-19-10-7-15)12-20-17-4-2-14(3-5-17)8-11-23/h2-7,9-10,13,20,23H,8,11-12H2,1H3
InChIKeyOEIZMXSOLKQCSZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol

2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol (PubChem CID 71922317) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol
PubChem CID71922317
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol
SMILESCn1cc(CNc2ccc(CCO)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-6-9-19-10-7-15)12-20-17-4-2-14(3-5-17)8-11-23/h2-7,9-10,13,20,23H,8,11-12H2,1H3
InChIKeyOEIZMXSOLKQCSZ-UHFFFAOYSA-N
XLogP2.63
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol (CID 71922317) is 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol is Cn1cc(CNc2ccc(CCO)cc2)c(-c2ccncc2)n1.
What is the InChIKey of 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol?
The InChIKey is OEIZMXSOLKQCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22-13-16(18(21-22)15-6-9-19-10-7-15)12-20-17-4-2-14(3-5-17)8-11-23/h2-7,9-10,13,20,23H,8,11-12H2,1H3.
What are the key properties of 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol?
2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol has a molecular weight of 308.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 71922317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).