1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine

C13H20N4 — CID 79103011

IUPAC1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCc1cc(Cn2cccc2C(C)N)n(C)n1
InChIInChI=1S/C13H20N4/c1-4-11-8-12(16(3)15-11)9-17-7-5-6-13(17)10(2)14/h5-8,10H,4,9,14H2,1-3H3
InChIKeyYPDRUTDLHZZSKD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.85
Rot. Bonds4

About 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine

1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79103011) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79103011
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCc1cc(Cn2cccc2C(C)N)n(C)n1
InChIInChI=1S/C13H20N4/c1-4-11-8-12(16(3)15-11)9-17-7-5-6-13(17)10(2)14/h5-8,10H,4,9,14H2,1-3H3
InChIKeyYPDRUTDLHZZSKD-UHFFFAOYSA-N
XLogP1.85
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 66402333
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol
CID 79106645
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one
CID 116624745
7-chloro-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole
CID 103475099
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102418
1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrole-2-carboxylic acid
CID 79112919
(1R)-1-[4-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025613
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine
CID 79102217
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
[4-[[2-(1-aminoethyl)pyrrol-1-yl]methyl]phenyl]methanol
CID 113365936
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine (CID 79103011) is 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine is CCc1cc(Cn2cccc2C(C)N)n(C)n1.
What is the InChIKey of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is YPDRUTDLHZZSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-11-8-12(16(3)15-11)9-17-7-5-6-13(17)10(2)14/h5-8,10H,4,9,14H2,1-3H3.
What are the key properties of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine?
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 232.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79103011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).