N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine

C17H28N4 — CID 66401842

IUPACN-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1cc(Cn2cccc2CNC(C)(C)C)n(CC)n1
InChIInChI=1S/C17H28N4/c1-6-14-11-16(21(7-2)19-14)13-20-10-8-9-15(20)12-18-17(3,4)5/h8-11,18H,6-7,12-13H2,1-5H3
InChIKeyGSIBUUJDYWZZLU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.20
Rot. Bonds6

About N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66401842) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66401842
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1cc(Cn2cccc2CNC(C)(C)C)n(CC)n1
InChIInChI=1S/C17H28N4/c1-6-14-11-16(21(7-2)19-14)13-20-10-8-9-15(20)12-18-17(3,4)5/h8-11,18H,6-7,12-13H2,1-5H3
InChIKeyGSIBUUJDYWZZLU-UHFFFAOYSA-N
XLogP3.20
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine (CID 66401842) is N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine is CCc1cc(Cn2cccc2CNC(C)(C)C)n(CC)n1.
What is the InChIKey of N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GSIBUUJDYWZZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-6-14-11-16(21(7-2)19-14)13-20-10-8-9-15(20)12-18-17(3,4)5/h8-11,18H,6-7,12-13H2,1-5H3.
What are the key properties of N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66401842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).