(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine

C15H26N4 — CID 72891144

IUPAC(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCn1cc(CN2C[C@H](C3CC3)[C@@H](N(C)C)C2)cn1
InChIInChI=1S/C15H26N4/c1-4-19-9-12(7-16-19)8-18-10-14(13-5-6-13)15(11-18)17(2)3/h7,9,13-15H,4-6,8,10-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyHFAASDIVAQDAGX-CABCVRRESA-N
MW262.40 g/mol
LogP1.67
Rot. Bonds5

About (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine

(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 72891144) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID72891144
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCn1cc(CN2C[C@H](C3CC3)[C@@H](N(C)C)C2)cn1
InChIInChI=1S/C15H26N4/c1-4-19-9-12(7-16-19)8-18-10-14(13-5-6-13)15(11-18)17(2)3/h7,9,13-15H,4-6,8,10-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyHFAASDIVAQDAGX-CABCVRRESA-N
XLogP1.67
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine (CID 72891144) is (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine is CCn1cc(CN2C[C@H](C3CC3)[C@@H](N(C)C)C2)cn1.
What is the InChIKey of (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is HFAASDIVAQDAGX-CABCVRRESA-N. The full InChI is InChI=1S/C15H26N4/c1-4-19-9-12(7-16-19)8-18-10-14(13-5-6-13)15(11-18)17(2)3/h7,9,13-15H,4-6,8,10-11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
(3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclopropyl-1-[(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 72891144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).