(3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C17H28N4 — CID 133111990

IUPAC(3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESC=CCn1ncc(CN2C[C@@H](N(C)C)[C@H](C3CC3)C2)c1C
InChIInChI=1S/C17H28N4/c1-5-8-21-13(2)15(9-18-21)10-20-11-16(14-6-7-14)17(12-20)19(3)4/h5,9,14,16-17H,1,6-8,10-12H2,2-4H3/t16-,17+/m0/s1
InChIKeyOYIJKVYPESQJDP-DLBZAZTESA-N
MW288.44 g/mol
LogP2.15
Rot. Bonds6

About (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine

(3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 133111990) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID133111990
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name(3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESC=CCn1ncc(CN2C[C@@H](N(C)C)[C@H](C3CC3)C2)c1C
InChIInChI=1S/C17H28N4/c1-5-8-21-13(2)15(9-18-21)10-20-11-16(14-6-7-14)17(12-20)19(3)4/h5,9,14,16-17H,1,6-8,10-12H2,2-4H3/t16-,17+/m0/s1
InChIKeyOYIJKVYPESQJDP-DLBZAZTESA-N
XLogP2.15
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 133111990) is (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine is C=CCn1ncc(CN2C[C@@H](N(C)C)[C@H](C3CC3)C2)c1C.
What is the InChIKey of (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is OYIJKVYPESQJDP-DLBZAZTESA-N. The full InChI is InChI=1S/C17H28N4/c1-5-8-21-13(2)15(9-18-21)10-20-11-16(14-6-7-14)17(12-20)19(3)4/h5,9,14,16-17H,1,6-8,10-12H2,2-4H3/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
(3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 288.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 133111990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).