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

C16H26N4 — CID 79107951

IUPAC1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccn(Cc2cc(C)nn2CC)c1
InChIInChI=1S/C16H26N4/c1-5-7-16(17-4)14-8-9-19(11-14)12-15-10-13(3)18-20(15)6-2/h8-11,16-17H,5-7,12H2,1-4H3
InChIKeyYYVGPOIESSLSQS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.12
Rot. Bonds7

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

1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine (PubChem CID 79107951) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
PubChem CID79107951
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccn(Cc2cc(C)nn2CC)c1
InChIInChI=1S/C16H26N4/c1-5-7-16(17-4)14-8-9-19(11-14)12-15-10-13(3)18-20(15)6-2/h8-11,16-17H,5-7,12H2,1-4H3
InChIKeyYYVGPOIESSLSQS-UHFFFAOYSA-N
XLogP3.12
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine?
The IUPAC name of 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine (CID 79107951) is 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine?
The canonical SMILES for 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine is CCCC(NC)c1ccn(Cc2cc(C)nn2CC)c1.
What is the InChIKey of 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine?
The InChIKey is YYVGPOIESSLSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-7-16(17-4)14-8-9-19(11-14)12-15-10-13(3)18-20(15)6-2/h8-11,16-17H,5-7,12H2,1-4H3.
What are the key properties of 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine?
1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 79107951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).