[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol

C13H23N3O — CID 115454619

IUPAC[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCCC(C)n1ccc(CNCC2(CO)CC2)n1
InChIInChI=1S/C13H23N3O/c1-3-11(2)16-7-4-12(15-16)8-14-9-13(10-17)5-6-13/h4,7,11,14,17H,3,5-6,8-10H2,1-2H3
InChIKeyCBZLLQNWSBECSS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds7

About [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol

[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 115454619) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID115454619
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCCC(C)n1ccc(CNCC2(CO)CC2)n1
InChIInChI=1S/C13H23N3O/c1-3-11(2)16-7-4-12(15-16)8-14-9-13(10-17)5-6-13/h4,7,11,14,17H,3,5-6,8-10H2,1-2H3
InChIKeyCBZLLQNWSBECSS-UHFFFAOYSA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol (CID 115454619) is [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol is CCC(C)n1ccc(CNCC2(CO)CC2)n1.
What is the InChIKey of [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is CBZLLQNWSBECSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11(2)16-7-4-12(15-16)8-14-9-13(10-17)5-6-13/h4,7,11,14,17H,3,5-6,8-10H2,1-2H3.
What are the key properties of [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).