(3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine

C15H28N4 — CID 86283336

IUPAC(3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(CCCn2nc(C)cc2C)C[C@@H]1N
InChIInChI=1S/C15H28N4/c1-4-6-14-10-18(11-15(14)16)7-5-8-19-13(3)9-12(2)17-19/h9,14-15H,4-8,10-11,16H2,1-3H3/t14-,15-/m0/s1
InChIKeyWNYDYGPZXAOYCK-GJZGRUSLSA-N
MW264.42 g/mol
LogP1.95
Rot. Bonds6

About (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine

(3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine (PubChem CID 86283336) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine
PubChem CID86283336
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name(3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(CCCn2nc(C)cc2C)C[C@@H]1N
InChIInChI=1S/C15H28N4/c1-4-6-14-10-18(11-15(14)16)7-5-8-19-13(3)9-12(2)17-19/h9,14-15H,4-8,10-11,16H2,1-3H3/t14-,15-/m0/s1
InChIKeyWNYDYGPZXAOYCK-GJZGRUSLSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine (CID 86283336) is (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine is CCC[C@H]1CN(CCCn2nc(C)cc2C)C[C@@H]1N.
What is the InChIKey of (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine?
The InChIKey is WNYDYGPZXAOYCK-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-6-14-10-18(11-15(14)16)7-5-8-19-13(3)9-12(2)17-19/h9,14-15H,4-8,10-11,16H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine?
(3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine has a molecular weight of 264.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 86283336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).