4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine

C12H21N3O — CID 50970056

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine
SMILESCCCC1COCCN1Cc1cc(C)[nH]n1
InChIInChI=1S/C12H21N3O/c1-3-4-12-9-16-6-5-15(12)8-11-7-10(2)13-14-11/h7,12H,3-6,8-9H2,1-2H3,(H,13,14)
InChIKeyUBPXPRSVEBKETF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds4

About 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine

4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine (PubChem CID 50970056) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine
PubChem CID50970056
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine
SMILESCCCC1COCCN1Cc1cc(C)[nH]n1
InChIInChI=1S/C12H21N3O/c1-3-4-12-9-16-6-5-15(12)8-11-7-10(2)13-14-11/h7,12H,3-6,8-9H2,1-2H3,(H,13,14)
InChIKeyUBPXPRSVEBKETF-UHFFFAOYSA-N
XLogP1.72
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine (CID 50970056) is 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine is CCCC1COCCN1Cc1cc(C)[nH]n1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine?
The InChIKey is UBPXPRSVEBKETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-12-9-16-6-5-15(12)8-11-7-10(2)13-14-11/h7,12H,3-6,8-9H2,1-2H3,(H,13,14).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine?
4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-propylmorpholine is sourced from PubChem (CID 50970056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).