(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine

C11H20N4 — CID 115301883

IUPAC(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCc1cc(CN2CC[C@@H](N)C2)n(C)n1
InChIInChI=1S/C11H20N4/c1-3-10-6-11(14(2)13-10)8-15-5-4-9(12)7-15/h6,9H,3-5,7-8,12H2,1-2H3/t9-/m1/s1
InChIKeyRQKQZENUYBYWJE-SECBINFHSA-N
MW208.31 g/mol
LogP0.52
Rot. Bonds3

About (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine

(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 115301883) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID115301883
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCCc1cc(CN2CC[C@@H](N)C2)n(C)n1
InChIInChI=1S/C11H20N4/c1-3-10-6-11(14(2)13-10)8-15-5-4-9(12)7-15/h6,9H,3-5,7-8,12H2,1-2H3/t9-/m1/s1
InChIKeyRQKQZENUYBYWJE-SECBINFHSA-N
XLogP0.52
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine (CID 115301883) is (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine is CCc1cc(CN2CC[C@@H](N)C2)n(C)n1.
What is the InChIKey of (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is RQKQZENUYBYWJE-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-10-6-11(14(2)13-10)8-15-5-4-9(12)7-15/h6,9H,3-5,7-8,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine?
(3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115301883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).