3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol

C11H18BrN3O — CID 64809453

IUPAC3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(Cn1cc(Br)cn1)C1CC1
InChIInChI=1S/C11H18BrN3O/c1-2-13-11(8-16,9-3-4-9)7-15-6-10(12)5-14-15/h5-6,9,13,16H,2-4,7-8H2,1H3
InChIKeyFEJHPDBGEWKJIE-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.40
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol

3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol (PubChem CID 64809453) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
PubChem CID64809453
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(Cn1cc(Br)cn1)C1CC1
InChIInChI=1S/C11H18BrN3O/c1-2-13-11(8-16,9-3-4-9)7-15-6-10(12)5-14-15/h5-6,9,13,16H,2-4,7-8H2,1H3
InChIKeyFEJHPDBGEWKJIE-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol
CID 71999711
2-Cyclopropyl-2-(propylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64808993
2-Cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64808994
2-Cyclopropyl-2-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64808995
2-Cyclopropyl-2-(ethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64809832
2-Cyclopropyl-2-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64811509
2-Amino-2-cyclopropyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64811714
[4-(4-Bromopyrazol-1-yl)piperidin-3-yl]methanol
CID 118227167
[4-(4-Bromopyrazol-1-yl)piperidin-4-yl]methanol
CID 168491051
[4-(4-Bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane
CID 169136353
4-Methyl-2-{[(1-methyl-1H-pyrazol-4-yl)methyl]amino}pentan-1-ol
CID 61245964
2-[(1-Tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 61247444

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol (CID 64809453) is 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol is CCNC(CO)(Cn1cc(Br)cn1)C1CC1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The InChIKey is FEJHPDBGEWKJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-2-13-11(8-16,9-3-4-9)7-15-6-10(12)5-14-15/h5-6,9,13,16H,2-4,7-8H2,1H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64809453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).