(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone

C11H14BrN3O2 — CID 47426489

IUPAC(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N1CCOCC1
InChIInChI=1S/C11H14BrN3O2/c12-8-9(7-1-2-7)13-14-10(8)11(16)15-3-5-17-6-4-15/h7H,1-6H2,(H,13,14)
InChIKeyPXRGDRBNLAKGEU-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.52
Rot. Bonds2

About (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 47426489) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID47426489
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N1CCOCC1
InChIInChI=1S/C11H14BrN3O2/c12-8-9(7-1-2-7)13-14-10(8)11(16)15-3-5-17-6-4-15/h7H,1-6H2,(H,13,14)
InChIKeyPXRGDRBNLAKGEU-UHFFFAOYSA-N
XLogP1.52
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone (CID 47426489) is (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone is O=C(c1n[nH]c(C2CC2)c1Br)N1CCOCC1.
What is the InChIKey of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is PXRGDRBNLAKGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-8-9(7-1-2-7)13-14-10(8)11(16)15-3-5-17-6-4-15/h7H,1-6H2,(H,13,14).
What are the key properties of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone?
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 300.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 47426489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).