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

C13H20N4 — CID 66402333

IUPAC1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCCc1cc(Cn2cccc2CNC)n(C)n1
InChIInChI=1S/C13H20N4/c1-4-11-8-13(16(3)15-11)10-17-7-5-6-12(17)9-14-2/h5-8,14H,4,9-10H2,1-3H3
InChIKeyZWWWJZIUBPFDSW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.55
Rot. Bonds5

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

1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine (PubChem CID 66402333) 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]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
PubChem CID66402333
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine
SMILESCCc1cc(Cn2cccc2CNC)n(C)n1
InChIInChI=1S/C13H20N4/c1-4-11-8-13(16(3)15-11)10-17-7-5-6-12(17)9-14-2/h5-8,14H,4,9-10H2,1-3H3
InChIKeyZWWWJZIUBPFDSW-UHFFFAOYSA-N
XLogP1.55
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.55
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]ethanamine
CID 79103011
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401842
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
CID 66403106
1-(5-ethyl-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 23006093
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-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
CID 66400746
[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]methanol
CID 66399113
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]indole-5-carbonitrile
CID 107920157
N-methyl-1-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methanamine
CID 66400955
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404959

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine (CID 66402333) is 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine is CCc1cc(Cn2cccc2CNC)n(C)n1.
What is the InChIKey of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine?
The InChIKey is ZWWWJZIUBPFDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-11-8-13(16(3)15-11)10-17-7-5-6-12(17)9-14-2/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine?
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylmethanamine has a molecular weight of 232.33 g/mol, XLogP of 1.55, 5 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]-N-methylmethanamine is sourced from PubChem (CID 66402333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).