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

C14H21BrN4 — CID 66406497

IUPAC1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCCc1nn(C)c(Cn2ccc(CC(C)N)c2)c1Br
InChIInChI=1S/C14H21BrN4/c1-4-12-14(15)13(18(3)17-12)9-19-6-5-11(8-19)7-10(2)16/h5-6,8,10H,4,7,9,16H2,1-3H3
InChIKeyXDNZXHYQZGESOA-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.48
Rot. Bonds5

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

1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine (PubChem CID 66406497) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
PubChem CID66406497
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCCc1nn(C)c(Cn2ccc(CC(C)N)c2)c1Br
InChIInChI=1S/C14H21BrN4/c1-4-12-14(15)13(18(3)17-12)9-19-6-5-11(8-19)7-10(2)16/h5-6,8,10H,4,7,9,16H2,1-3H3
InChIKeyXDNZXHYQZGESOA-UHFFFAOYSA-N
XLogP2.48
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.48
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]-2-methylpropan-1-ol
CID 79097692
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79098629
1-(1-propylpyrrol-3-yl)propan-2-amine
CID 14739640
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994662
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406488
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406718
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 79261244
1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404482
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66405511
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406726
1-[1-(2-methylpropyl)pyrrol-3-yl]propan-2-amine
CID 66406296

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine (CID 66406497) is 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine is CCc1nn(C)c(Cn2ccc(CC(C)N)c2)c1Br.
What is the InChIKey of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine?
The InChIKey is XDNZXHYQZGESOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-4-12-14(15)13(18(3)17-12)9-19-6-5-11(8-19)7-10(2)16/h5-6,8,10H,4,7,9,16H2,1-3H3.
What are the key properties of 1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine?
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine has a molecular weight of 325.25 g/mol, XLogP of 2.48, 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]propan-2-amine is sourced from PubChem (CID 66406497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).