[3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid

C7H10BrN3O3 — CID 138524190

IUPAC[3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid
SMILESO=C(O)NCC(O)Cn1cc(Br)cn1
InChIInChI=1S/C7H10BrN3O3/c8-5-1-10-11(3-5)4-6(12)2-9-7(13)14/h1,3,6,9,12H,2,4H2,(H,13,14)
InChIKeyOREZJEPVEGKERH-UHFFFAOYSA-N
MW264.08 g/mol
LogP0.27
Rot. Bonds4

About [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid

[3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid (PubChem CID 138524190) has the molecular formula C7H10BrN3O3 and a molecular weight of 264.08 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid
PubChem CID138524190
Molecular FormulaC7H10BrN3O3
Molecular Weight264.08 g/mol
Exact Mass262.99
IUPAC Name[3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid
SMILESO=C(O)NCC(O)Cn1cc(Br)cn1
InChIInChI=1S/C7H10BrN3O3/c8-5-1-10-11(3-5)4-6(12)2-9-7(13)14/h1,3,6,9,12H,2,4H2,(H,13,14)
InChIKeyOREZJEPVEGKERH-UHFFFAOYSA-N
XLogP0.27
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid?
The IUPAC name of [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid (CID 138524190) is [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid is O=C(O)NCC(O)Cn1cc(Br)cn1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid?
The InChIKey is OREZJEPVEGKERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O3/c8-5-1-10-11(3-5)4-6(12)2-9-7(13)14/h1,3,6,9,12H,2,4H2,(H,13,14).
What are the key properties of [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid?
[3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid has a molecular weight of 264.08 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)-2-hydroxypropyl]carbamic acid is sourced from PubChem (CID 138524190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).