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

C15H18N6O — CID 71933816

IUPAC2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCn1cc(CNc2cnn(CCO)c2)c(-c2ccncc2)n1
InChIInChI=1S/C15H18N6O/c1-20-10-13(15(19-20)12-2-4-16-5-3-12)8-17-14-9-18-21(11-14)6-7-22/h2-5,9-11,17,22H,6-8H2,1H3
InChIKeyOPYLUEJKSYQVCA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.28
Rot. Bonds6

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

2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 71933816) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID71933816
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCn1cc(CNc2cnn(CCO)c2)c(-c2ccncc2)n1
InChIInChI=1S/C15H18N6O/c1-20-10-13(15(19-20)12-2-4-16-5-3-12)8-17-14-9-18-21(11-14)6-7-22/h2-5,9-11,17,22H,6-8H2,1H3
InChIKeyOPYLUEJKSYQVCA-UHFFFAOYSA-N
XLogP1.28
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol (CID 71933816) is 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol is Cn1cc(CNc2cnn(CCO)c2)c(-c2ccncc2)n1.
What is the InChIKey of 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is OPYLUEJKSYQVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-20-10-13(15(19-20)12-2-4-16-5-3-12)8-17-14-9-18-21(11-14)6-7-22/h2-5,9-11,17,22H,6-8H2,1H3.
What are the key properties of 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 298.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 71933816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).