1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole

C13H19N3 — CID 64779775

IUPAC1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
SMILESCCC(CC)n1ccc(Cn2cccc2)n1
InChIInChI=1S/C13H19N3/c1-3-13(4-2)16-10-7-12(14-16)11-15-8-5-6-9-15/h5-10,13H,3-4,11H2,1-2H3
InChIKeyNRYLRAOHQHHEKO-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.09
Rot. Bonds5

About 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole

1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole (PubChem CID 64779775) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
PubChem CID64779775
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole
SMILESCCC(CC)n1ccc(Cn2cccc2)n1
InChIInChI=1S/C13H19N3/c1-3-13(4-2)16-10-7-12(14-16)11-15-8-5-6-9-15/h5-10,13H,3-4,11H2,1-2H3
InChIKeyNRYLRAOHQHHEKO-UHFFFAOYSA-N
XLogP3.09
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105136
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrimidin-2-one
CID 116618391
1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 82872029
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108378
3-iodo-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-one
CID 79784713
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol
CID 64778509
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde
CID 64785210
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 64799954
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole?
The IUPAC name of 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole (CID 64779775) is 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole.
What is the SMILES notation for 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole?
The canonical SMILES for 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole is CCC(CC)n1ccc(Cn2cccc2)n1.
What is the InChIKey of 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole?
The InChIKey is NRYLRAOHQHHEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-13(4-2)16-10-7-12(14-16)11-15-8-5-6-9-15/h5-10,13H,3-4,11H2,1-2H3.
What are the key properties of 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole?
1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole has a molecular weight of 217.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-3-(pyrrol-1-ylmethyl)pyrazole is sourced from PubChem (CID 64779775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).