1,2-dihydropyrazol-3-one;morpholine

C7H13N3O2 — CID 172706602

IUPAC1,2-dihydropyrazol-3-one;morpholine
SMILESC1COCCN1.O=c1cc[nH][nH]1
InChIInChI=1S/C4H9NO.C3H4N2O/c1-3-6-4-2-5-1;6-3-1-2-4-5-3/h5H,1-4H2;1-2H,(H2,4,5,6)
InChIKeyDRAKXQMYRWHBFX-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.69
Rot. Bonds

About 1,2-dihydropyrazol-3-one;morpholine

1,2-dihydropyrazol-3-one;morpholine (PubChem CID 172706602) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1,2-dihydropyrazol-3-one;morpholine.

Molecular Properties

Compound Name1,2-dihydropyrazol-3-one;morpholine
PubChem CID172706602
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1,2-dihydropyrazol-3-one;morpholine
SMILESC1COCCN1.O=c1cc[nH][nH]1
InChIInChI=1S/C4H9NO.C3H4N2O/c1-3-6-4-2-5-1;6-3-1-2-4-5-3/h5H,1-4H2;1-2H,(H2,4,5,6)
InChIKeyDRAKXQMYRWHBFX-UHFFFAOYSA-N
XLogP-0.69
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrazol-3-one;morpholine?
The IUPAC name of 1,2-dihydropyrazol-3-one;morpholine (CID 172706602) is 1,2-dihydropyrazol-3-one;morpholine.
What is the SMILES notation for 1,2-dihydropyrazol-3-one;morpholine?
The canonical SMILES for 1,2-dihydropyrazol-3-one;morpholine is C1COCCN1.O=c1cc[nH][nH]1.
What is the InChIKey of 1,2-dihydropyrazol-3-one;morpholine?
The InChIKey is DRAKXQMYRWHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H4N2O/c1-3-6-4-2-5-1;6-3-1-2-4-5-3/h5H,1-4H2;1-2H,(H2,4,5,6).
What are the key properties of 1,2-dihydropyrazol-3-one;morpholine?
1,2-dihydropyrazol-3-one;morpholine has a molecular weight of 171.20 g/mol, XLogP of -0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrazol-3-one;morpholine is sourced from PubChem (CID 172706602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).