(4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone

C10H14ClN3O2 — CID 1236013

IUPAC(4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nn(C)c(C(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c1-7-8(11)9(13(2)12-7)10(15)14-3-5-16-6-4-14/h3-6H2,1-2H3
InChIKeyLOKIWDCFQXUYQB-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.85
Rot. Bonds1

About (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone

(4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 1236013) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone
PubChem CID1236013
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name(4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nn(C)c(C(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c1-7-8(11)9(13(2)12-7)10(15)14-3-5-16-6-4-14/h3-6H2,1-2H3
InChIKeyLOKIWDCFQXUYQB-UHFFFAOYSA-N
XLogP0.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone (CID 1236013) is (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone is Cc1nn(C)c(C(=O)N2CCOCC2)c1Cl.
What is the InChIKey of (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is LOKIWDCFQXUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7-8(11)9(13(2)12-7)10(15)14-3-5-16-6-4-14/h3-6H2,1-2H3.
What are the key properties of (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone?
(4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 243.69 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3-dimethylpyrazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1236013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).