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

C15H24N4 — CID 79105948

IUPAC1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(Cc2ccn(C(C)CC)n2)c1
InChIInChI=1S/C15H24N4/c1-4-12(3)19-9-7-14(17-19)11-18-8-6-13(10-18)15(16)5-2/h6-10,12,15H,4-5,11,16H2,1-3H3
InChIKeyWMKZFOYUCVMAFT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.11
Rot. Bonds6

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

1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79105948) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79105948
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(Cc2ccn(C(C)CC)n2)c1
InChIInChI=1S/C15H24N4/c1-4-12(3)19-9-7-14(17-19)11-18-8-6-13(10-18)15(16)5-2/h6-10,12,15H,4-5,11,16H2,1-3H3
InChIKeyWMKZFOYUCVMAFT-UHFFFAOYSA-N
XLogP3.11
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.11
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-3-yl]propan-1-amine?
The IUPAC name of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (CID 79105948) is 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is CCC(N)c1ccn(Cc2ccn(C(C)CC)n2)c1.
What is the InChIKey of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is WMKZFOYUCVMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-12(3)19-9-7-14(17-19)11-18-8-6-13(10-18)15(16)5-2/h6-10,12,15H,4-5,11,16H2,1-3H3.
What are the key properties of 1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 3.11, 6 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-3-yl]propan-1-amine is sourced from PubChem (CID 79105948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).