(4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone

C8H10ClN3O2 — CID 51698964

IUPAC(4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1[nH]ncc1Cl)N1CCOCC1
InChIInChI=1S/C8H10ClN3O2/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11)
InChIKeyBPOACQRJDMSYEP-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.54
Rot. Bonds1

About (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone

(4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 51698964) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
PubChem CID51698964
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name(4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone
SMILESO=C(c1[nH]ncc1Cl)N1CCOCC1
InChIInChI=1S/C8H10ClN3O2/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11)
InChIKeyBPOACQRJDMSYEP-UHFFFAOYSA-N
XLogP0.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone (CID 51698964) is (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone is O=C(c1[nH]ncc1Cl)N1CCOCC1.
What is the InChIKey of (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is BPOACQRJDMSYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-6-5-10-11-7(6)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11).
What are the key properties of (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone?
(4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 215.64 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 51698964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).