1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

C14H20BrN3O — CID 79105296

IUPAC1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2c(Br)c(C)nn2CC)c1
InChIInChI=1S/C14H20BrN3O/c1-4-13(19)11-6-7-17(8-11)9-12-14(15)10(3)16-18(12)5-2/h6-8,13,19H,4-5,9H2,1-3H3
InChIKeyHOLCNEFBQBNDDL-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.27
Rot. Bonds5

About 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79105296) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79105296
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2c(Br)c(C)nn2CC)c1
InChIInChI=1S/C14H20BrN3O/c1-4-13(19)11-6-7-17(8-11)9-12-14(15)10(3)16-18(12)5-2/h6-8,13,19H,4-5,9H2,1-3H3
InChIKeyHOLCNEFBQBNDDL-UHFFFAOYSA-N
XLogP3.27
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 113470054
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104694
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine
CID 79103080
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105390
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-pyrimidin-5-ylethanol
CID 102924052
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718188
1-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105638
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79104672
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-5-yl)ethanol
CID 114031778
1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105108
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 66399745
1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 106695693

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 79105296) is 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(Cc2c(Br)c(C)nn2CC)c1.
What is the InChIKey of 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is HOLCNEFBQBNDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-4-13(19)11-6-7-17(8-11)9-12-14(15)10(3)16-18(12)5-2/h6-8,13,19H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 326.24 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79105296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).