[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol

C12H20BrN3O — CID 113313219

IUPAC[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCCc1nn(C)c(CNCC2(CO)CC2)c1Br
InChIInChI=1S/C12H20BrN3O/c1-3-9-11(13)10(16(2)15-9)6-14-7-12(8-17)4-5-12/h14,17H,3-8H2,1-2H3
InChIKeyGTYARZSAAWRXDL-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.61
Rot. Bonds6

About [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol

[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 113313219) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID113313219
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCCc1nn(C)c(CNCC2(CO)CC2)c1Br
InChIInChI=1S/C12H20BrN3O/c1-3-9-11(13)10(16(2)15-9)6-14-7-12(8-17)4-5-12/h14,17H,3-8H2,1-2H3
InChIKeyGTYARZSAAWRXDL-UHFFFAOYSA-N
XLogP1.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol (CID 113313219) is [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol is CCc1nn(C)c(CNCC2(CO)CC2)c1Br.
What is the InChIKey of [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is GTYARZSAAWRXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-3-9-11(13)10(16(2)15-9)6-14-7-12(8-17)4-5-12/h14,17H,3-8H2,1-2H3.
What are the key properties of [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 302.22 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 113313219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).