2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol

C12H19N5O — CID 122167078

IUPAC2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCC(C)n1nccc1CNc1ccn(CCO)n1
InChIInChI=1S/C12H19N5O/c1-10(2)17-11(3-5-14-17)9-13-12-4-6-16(15-12)7-8-18/h3-6,10,18H,7-9H2,1-2H3,(H,13,15)
InChIKeyJRSHOFBUFHRCOO-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.26
Rot. Bonds6

About 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol

2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 122167078) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID122167078
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCC(C)n1nccc1CNc1ccn(CCO)n1
InChIInChI=1S/C12H19N5O/c1-10(2)17-11(3-5-14-17)9-13-12-4-6-16(15-12)7-8-18/h3-6,10,18H,7-9H2,1-2H3,(H,13,15)
InChIKeyJRSHOFBUFHRCOO-UHFFFAOYSA-N
XLogP1.26
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol (CID 122167078) is 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol is CC(C)n1nccc1CNc1ccn(CCO)n1.
What is the InChIKey of 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is JRSHOFBUFHRCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-10(2)17-11(3-5-14-17)9-13-12-4-6-16(15-12)7-8-18/h3-6,10,18H,7-9H2,1-2H3,(H,13,15).
What are the key properties of 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol?
2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 249.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 122167078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).