(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine

C12H21N3O — CID 125457640

IUPAC(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)15-5-6-16-7-11(15)12-9(3)13-14-10(12)4/h8,11H,5-7H2,1-4H3,(H,13,14)/t11-/m0/s1
InChIKeyRWAVSJMYJRHJNO-NSHDSACASA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds2

About (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine

(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine (PubChem CID 125457640) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
PubChem CID125457640
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
SMILESCc1n[nH]c(C)c1[C@@H]1COCCN1C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)15-5-6-16-7-11(15)12-9(3)13-14-10(12)4/h8,11H,5-7H2,1-4H3,(H,13,14)/t11-/m0/s1
InChIKeyRWAVSJMYJRHJNO-NSHDSACASA-N
XLogP1.81
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine?
The IUPAC name of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine (CID 125457640) is (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine is Cc1n[nH]c(C)c1[C@@H]1COCCN1C(C)C.
What is the InChIKey of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine?
The InChIKey is RWAVSJMYJRHJNO-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)15-5-6-16-7-11(15)12-9(3)13-14-10(12)4/h8,11H,5-7H2,1-4H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine?
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine has a molecular weight of 223.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 125457640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).