(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol

C12H20BrN3O2 — CID 114644622

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1CN(C)CCO1
InChIInChI=1S/C12H20BrN3O2/c1-3-4-16-11(9(13)7-14-16)12(17)10-8-15(2)5-6-18-10/h7,10,12,17H,3-6,8H2,1-2H3
InChIKeySUCSDQAUEFGFKD-UHFFFAOYSA-N
MW318.22 g/mol
LogP1.42
Rot. Bonds4

About (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol

(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol (PubChem CID 114644622) has the molecular formula C12H20BrN3O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol
PubChem CID114644622
Molecular FormulaC12H20BrN3O2
Molecular Weight318.22 g/mol
Exact Mass317.07
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)C1CN(C)CCO1
InChIInChI=1S/C12H20BrN3O2/c1-3-4-16-11(9(13)7-14-16)12(17)10-8-15(2)5-6-18-10/h7,10,12,17H,3-6,8H2,1-2H3
InChIKeySUCSDQAUEFGFKD-UHFFFAOYSA-N
XLogP1.42
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 114657862
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657225
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 114657209
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methanol
CID 115835854
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
(4-methylmorpholin-2-yl)-(1-propylimidazol-2-yl)methanol
CID 79087761
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
(4-bromo-1-methylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115839299
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol
CID 115835053

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol (CID 114644622) is (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol is CCCn1ncc(Br)c1C(O)C1CN(C)CCO1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol?
The InChIKey is SUCSDQAUEFGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2/c1-3-4-16-11(9(13)7-14-16)12(17)10-8-15(2)5-6-18-10/h7,10,12,17H,3-6,8H2,1-2H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol has a molecular weight of 318.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methanol is sourced from PubChem (CID 114644622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).