4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol

C10H18BrN3O — CID 64808824

IUPAC4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCn1cc(Br)cn1
InChIInChI=1S/C10H18BrN3O/c1-2-4-12-10(8-15)3-5-14-7-9(11)6-13-14/h6-7,10,12,15H,2-5,8H2,1H3
InChIKeyGUZWMSCVEURDET-UHFFFAOYSA-N
MW276.18 g/mol
LogP1.40
Rot. Bonds7

About 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol

4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol (PubChem CID 64808824) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol
PubChem CID64808824
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCn1cc(Br)cn1
InChIInChI=1S/C10H18BrN3O/c1-2-4-12-10(8-15)3-5-14-7-9(11)6-13-14/h6-7,10,12,15H,2-5,8H2,1H3
InChIKeyGUZWMSCVEURDET-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol (CID 64808824) is 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol is CCCNC(CO)CCn1cc(Br)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol?
The InChIKey is GUZWMSCVEURDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-2-4-12-10(8-15)3-5-14-7-9(11)6-13-14/h6-7,10,12,15H,2-5,8H2,1H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol?
4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol has a molecular weight of 276.18 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64808824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).