3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol

C12H20BrN3O — CID 64808975

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(Cn1nc(C)c(Br)c1C)C1CC1
InChIInChI=1S/C12H20BrN3O/c1-8-11(13)9(2)16(15-8)6-12(7-17,14-3)10-4-5-10/h10,14,17H,4-7H2,1-3H3
InChIKeyXBDOOMKOFPGPMS-UHFFFAOYSA-N
MW302.22 g/mol
LogP1.62
Rot. Bonds5

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol (PubChem CID 64808975) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol
PubChem CID64808975
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(Cn1nc(C)c(Br)c1C)C1CC1
InChIInChI=1S/C12H20BrN3O/c1-8-11(13)9(2)16(15-8)6-12(7-17,14-3)10-4-5-10/h10,14,17H,4-7H2,1-3H3
InChIKeyXBDOOMKOFPGPMS-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol (CID 64808975) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol is CNC(CO)(Cn1nc(C)c(Br)c1C)C1CC1.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol?
The InChIKey is XBDOOMKOFPGPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-8-11(13)9(2)16(15-8)6-12(7-17,14-3)10-4-5-10/h10,14,17H,4-7H2,1-3H3.
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol has a molecular weight of 302.22 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64808975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).