(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine

C15H28N4 — CID 133119202

IUPAC(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@@H]1CN(Cc2c(C)n[nH]c2C)C[C@H]1N(C)C
InChIInChI=1S/C15H28N4/c1-6-7-13-8-19(10-15(13)18(4)5)9-14-11(2)16-17-12(14)3/h13,15H,6-10H2,1-5H3,(H,16,17)/t13-,15-/m1/s1
InChIKeyXKDWKIULTVTGGZ-UKRRQHHQSA-N
MW264.42 g/mol
LogP2.19
Rot. Bonds5

About (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine

(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine (PubChem CID 133119202) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
PubChem CID133119202
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@@H]1CN(Cc2c(C)n[nH]c2C)C[C@H]1N(C)C
InChIInChI=1S/C15H28N4/c1-6-7-13-8-19(10-15(13)18(4)5)9-14-11(2)16-17-12(14)3/h13,15H,6-10H2,1-5H3,(H,16,17)/t13-,15-/m1/s1
InChIKeyXKDWKIULTVTGGZ-UKRRQHHQSA-N
XLogP2.19
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine (CID 133119202) is (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine is CCC[C@@H]1CN(Cc2c(C)n[nH]c2C)C[C@H]1N(C)C.
What is the InChIKey of (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The InChIKey is XKDWKIULTVTGGZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-7-13-8-19(10-15(13)18(4)5)9-14-11(2)16-17-12(14)3/h13,15H,6-10H2,1-5H3,(H,16,17)/t13-,15-/m1/s1.
What are the key properties of (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine has a molecular weight of 264.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 133119202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).