1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine

C13H24N4 — CID 64785981

IUPAC1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCC(CC)n1ccc(CN2CCC(N)C2)n1
InChIInChI=1S/C13H24N4/c1-3-13(4-2)17-8-6-12(15-17)10-16-7-5-11(14)9-16/h6,8,11,13H,3-5,7,9-10,14H2,1-2H3
InChIKeyYDNVWRHGBLZPLZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds5

About 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 64785981) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID64785981
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCCC(CC)n1ccc(CN2CCC(N)C2)n1
InChIInChI=1S/C13H24N4/c1-3-13(4-2)17-8-6-12(15-17)10-16-7-5-11(14)9-16/h6,8,11,13H,3-5,7,9-10,14H2,1-2H3
InChIKeyYDNVWRHGBLZPLZ-UHFFFAOYSA-N
XLogP1.78
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64785595
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502495
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanol
CID 64779447
2-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64784051
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114500471
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553361
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
3-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-butan-2-ylpyrazole
CID 80691044
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
3-[(3-bromopyrrolidin-1-yl)methyl]-1-butan-2-ylpyrazole
CID 80676536

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine (CID 64785981) is 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine is CCC(CC)n1ccc(CN2CCC(N)C2)n1.
What is the InChIKey of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is YDNVWRHGBLZPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-13(4-2)17-8-6-12(15-17)10-16-7-5-11(14)9-16/h6,8,11,13H,3-5,7,9-10,14H2,1-2H3.
What are the key properties of 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine?
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 64785981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).