1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol

C15H22BrN3O — CID 79097692

IUPAC1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCCc1nn(C)c(Cn2ccc(C(O)C(C)C)c2)c1Br
InChIInChI=1S/C15H22BrN3O/c1-5-12-14(16)13(18(4)17-12)9-19-7-6-11(8-19)15(20)10(2)3/h6-8,10,15,20H,5,9H2,1-4H3
InChIKeyRWTGWONTPYABDK-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.28
Rot. Bonds5

About 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol

1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol (PubChem CID 79097692) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
PubChem CID79097692
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCCc1nn(C)c(Cn2ccc(C(O)C(C)C)c2)c1Br
InChIInChI=1S/C15H22BrN3O/c1-5-12-14(16)13(18(4)17-12)9-19-7-6-11(8-19)15(20)10(2)3/h6-8,10,15,20H,5,9H2,1-4H3
InChIKeyRWTGWONTPYABDK-UHFFFAOYSA-N
XLogP3.28
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109540
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79098629
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406497
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105390
2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 107045442
2-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-ol
CID 79098041
1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097685
2-methyl-1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79097859
1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097594
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66405511
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79096848
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097426

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol (CID 79097692) is 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol is CCc1nn(C)c(Cn2ccc(C(O)C(C)C)c2)c1Br.
What is the InChIKey of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
The InChIKey is RWTGWONTPYABDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-5-12-14(16)13(18(4)17-12)9-19-7-6-11(8-19)15(20)10(2)3/h6-8,10,15,20H,5,9H2,1-4H3.
What are the key properties of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol?
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol has a molecular weight of 340.27 g/mol, XLogP of 3.28, 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-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 79097692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).