4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine

C12H21N3O — CID 142466748

IUPAC4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine
SMILESCc1c(N2CCOCC2)nn(C)c1C(C)C
InChIInChI=1S/C12H21N3O/c1-9(2)11-10(3)12(13-14(11)4)15-5-7-16-8-6-15/h9H,5-8H2,1-4H3
InChIKeyFHTBFIYQFGHNJM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds2

About 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine

4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine (PubChem CID 142466748) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine
PubChem CID142466748
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine
SMILESCc1c(N2CCOCC2)nn(C)c1C(C)C
InChIInChI=1S/C12H21N3O/c1-9(2)11-10(3)12(13-14(11)4)15-5-7-16-8-6-15/h9H,5-8H2,1-4H3
InChIKeyFHTBFIYQFGHNJM-UHFFFAOYSA-N
XLogP1.69
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine?
The IUPAC name of 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine (CID 142466748) is 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine.
What is the SMILES notation for 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine?
The canonical SMILES for 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine is Cc1c(N2CCOCC2)nn(C)c1C(C)C.
What is the InChIKey of 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine?
The InChIKey is FHTBFIYQFGHNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)11-10(3)12(13-14(11)4)15-5-7-16-8-6-15/h9H,5-8H2,1-4H3.
What are the key properties of 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine?
4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethyl-5-propan-2-ylpyrazol-3-yl)morpholine is sourced from PubChem (CID 142466748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).