1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine

C16H26N4 — CID 66405681

IUPAC1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C16H26N4/c1-4-13(3)20-10-8-15(18-20)12-19-9-6-7-16(19)11-14(17)5-2/h6-10,13-14H,4-5,11-12,17H2,1-3H3
InChIKeyQYIIVBBDPVOPGU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.98
Rot. Bonds7

About 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine

1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine (PubChem CID 66405681) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
PubChem CID66405681
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C16H26N4/c1-4-13(3)20-10-8-15(18-20)12-19-9-6-7-16(19)11-14(17)5-2/h6-10,13-14H,4-5,11-12,17H2,1-3H3
InChIKeyQYIIVBBDPVOPGU-UHFFFAOYSA-N
XLogP2.98
TPSA48.77 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine (CID 66405681) is 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1Cc1ccn(C(C)CC)n1.
What is the InChIKey of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
The InChIKey is QYIIVBBDPVOPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-13(3)20-10-8-15(18-20)12-19-9-6-7-16(19)11-14(17)5-2/h6-10,13-14H,4-5,11-12,17H2,1-3H3.
What are the key properties of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine?
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine is sourced from PubChem (CID 66405681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).